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3,4beta-Dihydro-4aalpha,7alpha,7aalpha-nepetalactone
SpectraBase Compound ID IC0oSC8ok1F
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-RBXMUDONSA-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 6jCARKR2AVg
Name 3,4beta-Dihydro-4aalpha,7alpha,7aalpha-nepetalactone
Alternate Name(s) (4R,4aR,7S,7aR)-4,7-dimethylhexahydrocyclopenta[c]pyran-1(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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-RBXMUDONSA-N
Literature Reference DOI 10.1002/ffj.2730030404
Molecular Weight 168.236 g/mol
SMILES C1C[C@@]([C@@]2([C@]1([C@](COC2=O)(C)[H])[H])[H])(C)[H]
SPLASH splash10-03yi-9600000000-f59a69db9385559858ce
Source of Spectrum FF-3-158-7
Wiley ID 1801162