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1H-Indene-4-carboxylic acid, 2,3,3a,6,7,7a-hexahydro-5-hydroxy-7a-methyl-1-oxo-, ethyl ester, trans-
SpectraBase Compound ID KBmJK3F3Xzg
InChI InChI=1S/C13H18O4/c1-3-17-12(16)11-8-4-5-10(15)13(8,2)7-6-9(11)14/h8,14H,3-7H2,1-2H3/t8-,13-/m0/s1
InChIKey QGJWCZNSBMNCSW-SDBXPKJASA-N
Mol Weight 238.28 g/mol
Molecular Formula C13H18O4
Exact Mass 238.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzyXQTr03U0
Name 1H-Indene-4-carboxylic acid, 2,3,3a,6,7,7a-hexahydro-5-hydroxy-7a-methyl-1-oxo-, ethyl ester, trans-
CAS Registry Number 63186-28-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O4
InChI InChI=1S/C13H18O4/c1-3-17-12(16)11-8-4-5-10(15)13(8,2)7-6-9(11)14/h8,14H,3-7H2,1-2H3/t8-,13-/m0/s1
InChIKey QGJWCZNSBMNCSW-SDBXPKJASA-N
Molecular Weight 238.283 g/mol
SMILES OC1=C([C@]2([C@](C(=O)CC2)(C)CC1)[H])C(=O)OCC
SPLASH splash10-06tr-7900000000-8d27c3d6bdd50f101994
Source of Spectrum B-30-449-0
Synonyms Ethyl (3aR,7aS)-5-hydroxy-7a-methyl-1-oxo-2,3,3a,6,7,7a-hexahydro-1H-indene-4-carboxylate Ethyl t-7a-methyl-1,5-dioxo-r-3a,4,5,6,7,7a-hexahydroindan-c-4a-carboxylate
Wiley ID 1240481