Chem
J-GLOBAL ID:200907097677719960
Nikkaji number:J1.519.730G
3-(Hydroxymethyl)-5-isopropyl-1,4-cycloheptadiene-1-carboxylic acid methyl ester
3-(ヒドロキシメチル)-5-イソプロピル-1,4-シクロヘプタジエン-1-カルボン酸メチル
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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:
C13 H20 O3
Molecular formula furigana:
C13-H20-O3
Molecular weight:
224.300
InChI:
InChI=1S/C13H20O3/c1-9(2)11-4-5-12(13(15)16-3)7-10(6-11)8-14/h6-7,9-10,14H,4-5,8H2,1-3H3
InChI key:
SKWSSSHSRSNOAS-UHFFFAOYSA-N
SMILES:
COC(=O)C1=CC(CO)C=C(CC1)C(C)C
Systematic name (3):
3-(ヒドロキシメチル)-5-イソプロピル-1,4-シクロヘプタジエン-1-カルボン酸メチル
メチル 3-(ヒドロキシメチル)-5-(プロパン-2-イル)シクロヘプタ-1,4-ジエン-1-カルボキシラート
methyl 3-(hydroxymethyl)-5-(propan-2-yl)cyclohepta-1,4-diene-1-carboxylate
Other name (1):
3-(Hydroxymethyl)-5-isopropyl-1,4-cycloheptadiene-1-carboxylic acid methyl ester
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