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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 9Z674zLHwtC
Name Valeranone
CAS Registry Number 55528-90-0
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 222.198365456 u
Formula C15H26O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
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
Molecular Weight 222.372 g/mol
Nominal Mass 222 u
Number of Peaks 136
SMILES C1[C@@](C[C@]2([C@@](C1)(CCCC2=O)C)C)(C(C)C)[H]
SPLASH splash10-05mp-9300000000-32a7f9dd6b21c65a9b4e
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001366