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3-Octen-2-ol, (E)-
SpectraBase Compound ID 3bTQqhHeA7c
InChI InChI=1S/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+
InChIKey YJJIVDCKSZMHGZ-VOTSOKGWSA-N
Mol Weight 128.21 g/mol
Molecular Formula C8H16O
Exact Mass 128.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Aa1nctIq8b
Name Octen-2-ol<3E->
CAS Registry Number 57648-55-2
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 128.120115134 u
Formula C8H16O
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/C8H16O/c1-3-4-5-6-7-8(2)9/h6-9H,3-5H2,1-2H3/b7-6+
InChIKey YJJIVDCKSZMHGZ-VOTSOKGWSA-N
Molecular Weight 128.215 g/mol
Nominal Mass 128 u
Number of Peaks 67
SMILES OC(\C=C\CCCC)C
SPLASH splash10-05fu-9000000000-65bf40add42bbedee9a6
Source ex BEDOUKIAN CHEM ex JJ BROPHY
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA001981