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(3S,3aR,8aS)-3-Methyl-octahydroazulen-5(1H)-one
SpectraBase Compound ID 93WmF358fFH
InChI InChI=1S/C11H18O/c1-8-5-6-9-3-2-4-10(12)7-11(8)9/h8-9,11H,2-7H2,1H3/t8-,9-,11+/m0/s1
InChIKey ZXEGJUDLZPBLMK-ATZCPNFKSA-N
Mol Weight 166.26 g/mol
Molecular Formula C11H18O
Exact Mass 166.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ITVfY4M8dM
Name (3S,3aR,8aS)-3-Methyl-octahydroazulen-5(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18O
InChI InChI=1S/C11H18O/c1-8-5-6-9-3-2-4-10(12)7-11(8)9/h8-9,11H,2-7H2,1H3/t8-,9-,11+/m0/s1
InChIKey ZXEGJUDLZPBLMK-ATZCPNFKSA-N
Molecular Weight 166.264 g/mol
SMILES C1C[C@@]([C@]2(CC(CCC[C@@]12[H])=O)[H])(C)[H]
SPLASH splash10-05mo-9200000000-c58171cda98be35871bc
Source of Spectrum KC-61-10329-34
Synonyms (3S,3aR,8aS)-3-methyloctahydro-5(1H)-azulenone
Wiley ID 1630986