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2(1H)-Pentalenone, 6-(3,5-hexadienyl)-4,5,6,6a-tetrahydro-5,5-dimethyl-, cis-(.+-.)-
SpectraBase Compound ID 351uOBTHY3T
InChI InChI=1S/C16H22O/c1-4-5-6-7-8-15-14-10-13(17)9-12(14)11-16(15,2)3/h4-6,9,14-15H,1,7-8,10-11H2,2-3H3/b6-5+/t14-,15+/m1/s1
InChIKey SZAMXTMUPWKMDQ-MUHKLVGJSA-N
Mol Weight 230.35 g/mol
Molecular Formula C16H22O
Exact Mass 230.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EpSAPxuty9M
Name 2(1H)-Pentalenone, 6-(3,5-hexadienyl)-4,5,6,6a-tetrahydro-5,5-dimethyl-, cis-(.+-.)-
Alternate Name(s) (3aS,4S)-4-[(3E)-3,5-hexadienyl]-5,5-dimethyl-3a,4,5,6-tetrahydro-2(3H)-pentalenone (5s+,6s+)-6-(3,5-hexadienyl)-7,7-dimethyl-bicyclo[3.3.0]oct-1-en-3-one
CAS Registry Number 89116-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O
InChI InChI=1S/C16H22O/c1-4-5-6-7-8-15-14-10-13(17)9-12(14)11-16(15,2)3/h4-6,9,14-15H,1,7-8,10-11H2,2-3H3/b6-5+/t14-,15+/m1/s1
InChIKey SZAMXTMUPWKMDQ-MUHKLVGJSA-N
Molecular Weight 230.351 g/mol
SMILES C=12[C@]([C@](CC\C=C\C=C)(C(C2)(C)C)[H])(CC(C1)=O)[H]
SPLASH splash10-0006-9020000000-93d5c563dba47f09542e
Source of Spectrum F-39-3241-0
Wiley ID 1232295