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(3aS,6aR)-5-methyl-3,3a,6,6a-tetrahydro-2H-pentalen-1-one
SpectraBase Compound ID 4JXaP72isYD
InChI InChI=1S/C9H12O/c1-6-4-7-2-3-9(10)8(7)5-6/h4,7-8H,2-3,5H2,1H3/t7-,8+/m0/s1
InChIKey NVOPQZPASYXNIV-JGVFFNPUSA-N
Mol Weight 136.19 g/mol
Molecular Formula C9H12O
Exact Mass 136.088815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6YXCgaKbPge
Name (3aS,6aR)-5-methyl-3,3a,6,6a-tetrahydro-2H-pentalen-1-one
CAS Registry Number 109613-22-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12O
InChI InChI=1S/C9H12O/c1-6-4-7-2-3-9(10)8(7)5-6/h4,7-8H,2-3,5H2,1H3/t7-,8+/m0/s1
InChIKey NVOPQZPASYXNIV-JGVFFNPUSA-N
Molecular Weight 136.194 g/mol
SMILES [C@]12([C@](C=C(C2)C)(CCC1=O)[H])[H]
SPLASH splash10-001r-9800000000-a77413d8bf94f5d7c487
Source of Spectrum K-120-1937-11
Wiley ID 1136349