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neoiso-Verbanol acetate
SpectraBase Compound ID Ekv4G5eWZBJ
InChI InChI=1S/C12H20O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h7,9-11H,5-6H2,1-4H3/t7-,9+,10-,11+/m1/s1
InChIKey SJTUFGGNSOBUCB-DQDDRIPDSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6ra7wHJkSH
Name Verbanol acetate
CAS Registry Number 73366-12-8
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 196.146329882 u
Formula C12H20O2
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/C12H20O2/c1-7-5-11(14-8(2)13)10-6-9(7)12(10,3)4/h7,9-11H,5-6H2,1-4H3/t7-,9+,10-,11+/m1/s1
InChIKey SJTUFGGNSOBUCB-DQDDRIPDSA-N
Molecular Weight 196.290 g/mol
Nominal Mass 196 u
Number of Peaks 104
SMILES CC(=O)O[C@]1(C[C@]([C@]2(C([C@@]1(C2)[H])(C)C)[H])(C)[H])[H]
SPLASH splash10-0006-9100000000-36fa7f752f356e9bfd7e
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001381