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3-Hepten-1-ol, acetate
SpectraBase Compound ID DIfplsppFC3
InChI InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKey AAYIYWGTGAUKQY-WAYWQWQTSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4K2ev1n3vYn
Name (3Z)-Heptenol acetate
Alternate Name(s) Heptenol acetate<3Z->
CAS Registry Number 1576-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5-
InChIKey AAYIYWGTGAUKQY-WAYWQWQTSA-N
Molecular Weight 156.225 g/mol
SMILES C(=O)(C)OCC\C=C/CCC
SPLASH splash10-0f6x-9000000000-b1bce4343b025e435806
Source ex BEDOUKIAN RES.
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886409