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3a,7-Ethano-3aH-indene-4-carboxylic acid, octahydro-8,8-dimethyl-3-methylene-2-oxo-, methyl ester, [3aS-(3a.alpha.,4.beta.,7.alpha.,7a.beta.)]-
SpectraBase Compound ID Kcd0qaMcksB
InChI InChI=1S/C16H22O3/c1-9-13(17)7-12-10-5-6-11(14(18)19-4)16(9,12)15(2,3)8-10/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-,16-/m0/s1
InChIKey QVYFHZZVFJXUDS-BUWBCJGYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZZ2pjRCJj7
Name 3a,7-Ethano-3aH-indene-4-carboxylic acid, octahydro-8,8-dimethyl-3-methylene-2-oxo-, methyl ester, [3aS-(3a.alpha.,4.beta.,7.alpha.,7a.beta.)]-
CAS Registry Number 132381-63-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-9-13(17)7-12-10-5-6-11(14(18)19-4)16(9,12)15(2,3)8-10/h10-12H,1,5-8H2,2-4H3/t10-,11+,12-,16-/m0/s1
InChIKey QVYFHZZVFJXUDS-BUWBCJGYSA-N
Molecular Weight 262.349 g/mol
SMILES [C@]123[C@@](CC(C3=C)=O)([C@]([H])(CC1(C)C)CC[C@@]2(C(=O)OC)[H])[H]
SPLASH splash10-01pk-0290000000-b2351fc9e17d6ef14a5d
Source of Spectrum KC-1990-3348-15
Synonyms 1-Methylene-2-oxo-8-.alpha.-methoxycarbonyl-5,9-(2',2'-dimethylethylene)indane Methyl (1S,5S,6S,9S)-10,10-dimethyl-2-methylene-3-oxotricyclo[4.3.2.0(1,5)]undecane-9-carboxylate
Wiley ID 1266151