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Valerianol
SpectraBase Compound ID BFS9SPud5ZF
InChI InChI=1S/C15H26O/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
InChIKey MQWIFDHBNGIVPO-KYOSRNDESA-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 LQZB75kVLX6
Name Valerianol
CAS Registry Number 20489-45-6
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/c1-11-6-5-7-12-8-9-13(14(2,3)16)10-15(11,12)4/h7,11,13,16H,5-6,8-10H2,1-4H3/t11-,13-,15+/m1/s1
InChIKey MQWIFDHBNGIVPO-KYOSRNDESA-N
Molecular Weight 222.372 g/mol
Nominal Mass 222 u
Number of Peaks 152
SMILES OC([C@]1(C[C@@]2(C(=CCC[C@]2(C)[H])CC1)C)[H])(C)C
SPLASH splash10-0btc-7910000000-ed9c82d371ce549aa37a
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001367