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1H-Indene-1-carboxylic acid, octahydro-3a-methyl-2-oxo-, methyl ester, (3a.alpha.,7a.alpha.)-
SpectraBase Compound ID 1SKy3aoSdcw
InChI InChI=1S/C12H18O3/c1-12-6-4-3-5-8(12)10(9(13)7-12)11(14)15-2/h8,10H,3-7H2,1-2H3/t8-,10?,12+/m0/s1
InChIKey YGCRDBRUTTXIQD-QSKXGYGVSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5jk2Nxf0CHo
Name 1H-Indene-1-carboxylic acid, octahydro-3a-methyl-2-oxo-, methyl ester, (3a.alpha.,7a.alpha.)-
CAS Registry Number 104712-99-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-12-6-4-3-5-8(12)10(9(13)7-12)11(14)15-2/h8,10H,3-7H2,1-2H3/t8-,10?,12+/m0/s1
InChIKey YGCRDBRUTTXIQD-QSKXGYGVSA-N
Molecular Weight 210.273 g/mol
SMILES C1(C(C[C@@]2([C@]1(CCCC2)[H])C)=O)C(=O)OC
SPLASH splash10-0bta-5900000000-c0ea2694b98f4378edb9
Source of Spectrum H-78-955-14
Synonyms Methyl (3aR,7aS)-3a-methyl-2-oxooctahydro-1H-indene-1-carboxylate Methyl 2,3,3a.alpha.,4,5.6.7.7a.alpha.-octahydro-3a.alpha.-methyl-2-oxo-1H-indene-1-carboxylate Methyl 3a.alpha.-methyl-2-oxo-2,3,3a.alpha.,4,5,6,7,7a.alpha.-octahydro-1H-indene-1-carboxylate
Wiley ID 1209211