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1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-3a,6,6-trimethyl-, cis-(.+-.)-
SpectraBase Compound ID LEG2HN1HsYb
InChI InChI=1S/C11H16O/c1-10(2)6-7-11(3)5-4-8(12)9(10)11/h4-5,9H,6-7H2,1-3H3/t9-,11+/m1/s1
InChIKey JYRXNPYRKFPVJY-KOLCDFICSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fFAWutIvnD
Name 1(3aH)-Pentalenone, 4,5,6,6a-tetrahydro-3a,6,6-trimethyl-, cis-(.+-.)-
CAS Registry Number 85544-98-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-10(2)6-7-11(3)5-4-8(12)9(10)11/h4-5,9H,6-7H2,1-3H3/t9-,11+/m1/s1
InChIKey JYRXNPYRKFPVJY-KOLCDFICSA-N
Molecular Weight 164.248 g/mol
SMILES [C@]12([C@](C(=O)C=C2)(C(C)(C)CC1)[H])C
SPLASH splash10-0002-8900000000-6e7be18abe566fb8d4b3
Source of Spectrum H-65-2419-0
Synonyms (3aR,6aR)-3a,6,6-trimethyl-4,5,6,6a-tetrahydro-1(3aH)-pentalenone cis-5,8,8-trimethylbicyclo[3.3.0]oct-3-en-2-one
Wiley ID 1160787