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3,4alpha-Dihydro-4aalpha,7alpha,7aalpha-nepetalactone
SpectraBase Compound ID JOAhSVMSWtX
InChI InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3/t6-,7+,8+,9+/m0/s1
InChIKey LSRNBGXEEKNZHN-JQCXWYLXSA-N
Mol Weight 168.24 g/mol
Molecular Formula C10H16O2
Exact Mass 168.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FWSjDIaDs7v
Name 3,4alpha-Dihydro-4aalpha,7alpha,7aalpha-nepetalactone
Classification Terpene lactones
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 168.115029753 u
Formula C10H16O2
InChI InChI=1S/C10H16O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h6-9H,3-5H2,1-2H3/t6-,7+,8+,9+/m0/s1
InChIKey LSRNBGXEEKNZHN-JQCXWYLXSA-N
Molecular Weight 168.236 g/mol
Number of Peaks 14
SMILES C1C[C@@]([C@@]2([C@]1([C@@](COC2=O)(C)[H])[H])[H])(C)[H]
SPLASH splash10-02u0-9700000000-22516efc22fdaec29336
Source of Spectrum FF-3-158-6 (DOI: 10.1002/ffj.2730030404)
Synonyms (4S,4aR,7S,7aR)-4,7-dimethylhexahydrocyclopenta[c]pyran-1(3H)-one
Wiley ID 1801161