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Nerone<trans->
SpectraBase Compound ID 4nVbvjdAOCH
InChI InChI=1S/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3/t11-,12+/m0/s1
InChIKey DZSVIVLGBJKQAP-NWDGAFQWSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AG7SonGeD5T
Name Nerone
CAS Registry Number 41766-71-6
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 194.167065327 u
Formula C13H22O
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/C13H22O/c1-5-13(14)12-8-11(9(2)3)7-6-10(12)4/h6,9,11-12H,5,7-8H2,1-4H3/t11-,12+/m0/s1
InChIKey DZSVIVLGBJKQAP-NWDGAFQWSA-N
Molecular Weight 194.318 g/mol
Nominal Mass 194 u
Number of Peaks 99
SMILES C=1C[C@@](C[C@](C1C)(C(CC)=O)[H])(C(C)C)[H]
SPLASH splash10-053u-9100000000-1ed5fdad6c4d3ba6e7f6
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001013