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1,1-Dimethylethyl (1R*,3aR*,7aS*)-Hexahydro-.alpha.-isopropylidene-3a-methyl-7-oxo-1-indanacetate
SpectraBase Compound ID Cpvtq9Wm5wR
InChI InChI=1S/C19H30O3/c1-12(2)15(17(21)22-18(3,4)5)13-9-11-19(6)10-7-8-14(20)16(13)19/h13,16H,7-11H2,1-6H3/t13-,16+,19+/m0/s1
InChIKey FFKZNLDDOSKSFO-URKNILKWSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JD9LZ3mVcq7
Name 1,1-Dimethylethyl (1R*,3aR*,7aS*)-Hexahydro-.alpha.-isopropylidene-3a-methyl-7-oxo-1-indanacetate
CAS Registry Number 127488-37-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-12(2)15(17(21)22-18(3,4)5)13-9-11-19(6)10-7-8-14(20)16(13)19/h13,16H,7-11H2,1-6H3/t13-,16+,19+/m0/s1
InChIKey FFKZNLDDOSKSFO-URKNILKWSA-N
Molecular Weight 306.446 g/mol
SMILES C(C([C@]1([C@]2([C@@](CCCC2=O)(C)CC1)[H])[H])=C(C)C)(OC(C)(C)C)=O
SPLASH splash10-0670-5890000000-013896b8967faef94203
Source of Spectrum J-57-2027-49
Synonyms tert-Butyl 2-[(1R,3aR,7aS)-3a-methyl-7-oxooctahydro-1H-inden-1-yl]-3-methyl-2-butenoate
Wiley ID 1308434