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1H-Indene-4-carboxylic acid, octahydro-1-hydroxy-7a-methyl-5-oxo-, methyl ester, (1.alpha.,3a.beta.,4.beta.,7a.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

1H-Indene-4-carboxylic acid, octahydro-1-hydroxy-7a-methyl-5-oxo-, methyl ester, (1.alpha.,3a.beta.,4.beta.,7a.alpha.)-(.+-.)-
SpectraBase Compound ID 5GOtKyN4In
InChI InChI=1S/C12H18O4/c1-12-6-5-8(13)10(11(15)16-2)7(12)3-4-9(12)14/h7,9-10,14H,3-6H2,1-2H3/t7-,9-,10-,12-/m1/s1
InChIKey YVYAKVWIBCXEKX-UGKPPGOTSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMo48YbEyBt
Name 1H-Indene-4-carboxylic acid, octahydro-1-hydroxy-7a-methyl-5-oxo-, methyl ester, (1.alpha.,3a.beta.,4.beta.,7a.alpha.)-(.+-.)-
CAS Registry Number 127728-65-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-12-6-5-8(13)10(11(15)16-2)7(12)3-4-9(12)14/h7,9-10,14H,3-6H2,1-2H3/t7-,9-,10-,12-/m1/s1
InChIKey YVYAKVWIBCXEKX-UGKPPGOTSA-N
Molecular Weight 226.272 g/mol
SMILES O[C@]1([C@]2([C@@]([C@@](C(=O)OC)(C(=O)CC2)[H])(CC1)[H])C)[H]
SPLASH splash10-0a5c-9700000000-b3eefc05a6d8541d6e99
Source of Spectrum B-42-1776-10
Synonyms Methyl (1R,3aR,4R,7aR)-1-hydroxy-7a-methyl-5-oxooctahydro-1H-indene-4-carboxylate Methyl 1.beta.-hydroxy-7a.beta.-methyl-5-oxo-2,3,3a.alpha.,4,5,6,7,7a-octahydro-1H-indene-4.alpha.-carboxylate
Wiley ID 1227324