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(3aS,7aS)-3,3a,4,6,7,7a-Hexahydro-2,3,3-trimethylinden-5(5H)-one
SpectraBase Compound ID BUyaGnSKfNr
InChI InChI=1S/C12H18O/c1-8-6-9-4-5-10(13)7-11(9)12(8,2)3/h6,9,11H,4-5,7H2,1-3H3/t9-,11-/m0/s1
InChIKey YXNYUHBOSCKZQQ-ONGXEEELSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0AjcOJ1ms4
Name (3aS,7aS)-3,3a,4,6,7,7a-Hexahydro-2,3,3-trimethylinden-5(5H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-6-9-4-5-10(13)7-11(9)12(8,2)3/h6,9,11H,4-5,7H2,1-3H3/t9-,11-/m0/s1
InChIKey YXNYUHBOSCKZQQ-ONGXEEELSA-N
Literature Reference DOI 10.1002/hlca.200490179
Molecular Weight 178.275 g/mol
SMILES CC1(C(=C[C@@]2(CCC(C[C@]12[H])=O)[H])C)C
SPLASH splash10-03k9-1900000000-a8e0773f8447c1c41f35
Source of Spectrum H-87-1986-22
Synonyms (3aS,7aS)-2,3,3-trimethyl-3,3a,4,6,7,7a-hexahydro-5H-inden-5-one
Wiley ID 1785540