Chem
J-GLOBAL ID:200907066746643609
Nikkaji number:J2.090.215I
(2R)-2,6,6-Trimethyl-3-(4-ethynylbenzyloxy)bicyclo[3.1.1]heptane
(2R)-2,6,6-トリメチル-3-(4-エチニルベンジルオキシ)ビシクロ[3.1.1]ヘプタン
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C19 H24 O
Molecular formula furigana:
C19-H24-O
Molecular weight:
268.400
InChI:
InChI=1S/C19H24O/c1-5-14-6-8-15(9-7-14)12-20-18-11-16-10-17(13(18)2)19(16,3)4/h1,6-9,13,16-18H,10-12H2,2-4H3/t13-,16?,17?,18?/m1/s1
InChI key:
PMOCAISGFVIIKZ-PFQBFTEQSA-N
SMILES:
C[C@@H]1C2CC(CC1OCc1ccc(cc1)C#C)C2(C)C
Systematic name (3):
(2R)-2,6,6-トリメチル-3-(4-エチニルベンジルオキシ)ビシクロ[3.1.1]ヘプタン
(2R)-3-[(4-エチニルフェニル)メトキシ]-2,6,6-トリメチルビシクロ[3.1.1]ヘプタン
(2R)-3-[(4-ethynylphenyl)methoxy]-2,6,6-trimethylbicyclo[3.1.1]heptane
Other name (1):
(2R)-2,6,6-Trimethyl-3-(4-ethynylbenzyloxy)bicyclo[3.1.1]heptane
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