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Valeranone
SpectraBase Compound ID LTbOZZk9s5B
InChI InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1
InChIKey HDVXJTYHXDVWQO-NWANDNLSSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzeYQv08MPd
Name Valeranone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
InChI InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1
InChIKey HDVXJTYHXDVWQO-NWANDNLSSA-N
Literature Reference DOI 10.1002/cbdv.200590087
Molecular Weight 222.372 g/mol
SMILES C1[C@](C(C)C)(C[C@@]2(C(CCC[C@@]2(C1)C)=O)C)[H]
SPLASH splash10-009t-6910000000-d5d33f15637a60c7afa0
Source of Spectrum CBD-2-1181-8
Synonyms (4aR,7S,8aS)-7-isopropyl-4a,8a-dimethyloctahydronaphthalen-1(2H)-one
Wiley ID 1790240