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cis-3,7-Dimethyl-2,6-octadien-1-yl acetate
SpectraBase Compound ID 9F0iAba74Qa
InChI InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKey HIGQPQRQIQDZMP-FLIBITNWSA-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 FiZyB3wn8gY
Name Neryl acetate
CAS Registry Number 141-12-8
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/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8-
InChIKey HIGQPQRQIQDZMP-FLIBITNWSA-N
Molecular Weight 196.290 g/mol
Nominal Mass 196 u
Number of Peaks 106
SMILES C(\C(=C/COC(C)=O)C)CC=C(C)C
SPLASH splash10-00kf-9000000000-907775159d297174d5be
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001919