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3a,7-Ethano-3aH-indene-4-carboxylic acid, 1,4,5,6,7,7a-hexahydro-3,8,8-trimethyl-, methyl ester, [3aS-(3a.alpha.,4.beta.,7.alpha.,7a.beta.)]-
SpectraBase Compound ID 2izefRKJVdL
InChI InChI=1S/C16H24O2/c1-10-5-6-12-11-7-8-13(14(17)18-4)16(10,12)9-15(11,2)3/h5,11-13H,6-9H2,1-4H3/t11-,12+,13-,16+/m1/s1
InChIKey XNHOPUXXLWKKIC-IATRGZMQSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXcC4pxw4cz
Name 3a,7-Ethano-3aH-indene-4-carboxylic acid, 1,4,5,6,7,7a-hexahydro-3,8,8-trimethyl-, methyl ester, [3aS-(3a.alpha.,4.beta.,7.alpha.,7a.beta.)]-
CAS Registry Number 132381-62-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-10-5-6-12-11-7-8-13(14(17)18-4)16(10,12)9-15(11,2)3/h5,11-13H,6-9H2,1-4H3/t11-,12+,13-,16+/m1/s1
InChIKey XNHOPUXXLWKKIC-IATRGZMQSA-N
Molecular Weight 248.366 g/mol
SMILES [C@]123[C@]([C@]([H])(C(C3)(C)C)CC[C@@]1(C(=O)OC)[H])(CC=C2C)[H]
SPLASH splash10-001i-0930000000-406a148aa360dd7571ba
Source of Spectrum KC-1990-3348-14
Synonyms 1-Methyl-1,2-dehydro-8-.alpha.-methoxycarbonyl-5,9-(2',2'-dimethylethylene)indane Methyl (1S,5S,6R,9S)-2,11,11-trimethyltricyclo[4.3.2.0(1,5)]undec-2-ene-9-carboxylate
Wiley ID 1251659