Chem
J-GLOBAL ID：200907001378645235   Nikkaji number：J1.165.479G

(1β,4β)-3α-Isothiocyanatobicyclo[2.2.1]heptane-2α-carboxylic acid ethyl ester

(1β,4β)-3α-イソチオシアナトビシクロ[2.2.1]ヘプタン-2α-カルボン酸エチル
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： C11H15NO2S
Molecular formula furigana： C11-H15-N-O2-S
Molecular weight： 225.310
InChI： InChI=1S/C11H15NO2S/c1-2-14-11(13)9-7-3-4-8(5-7)10(9)12-6-15/h7-10H,2-5H2,1H3/t7-,8+,9-,10+/m0/s1
InChI key： GMPNJUJTDNXTET-QCLAVDOMSA-N
SMILES： CCOC(=O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1N=C=S
Systematic name  (3)：
  • (1β,4β)-3α-イソチオシアナトビシクロ[2.2.1]ヘプタン-2α-カルボン酸エチル
  • エチル (1S,2S,3R,4R)-3-イソチオシアナトビシクロ[2.2.1]ヘプタン-2-カルボキシラート
  • ethyl (1S,2S,3R,4R)-3-isothiocyanatobicyclo[2.2.1]heptane-2-carboxylate
Other name (1)：
  • (1β,4β)-3α-Isothiocyanatobicyclo[2.2.1]heptane-2α-carboxylic acid ethyl ester
Thsaurus map：
Thesaurus Map

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