Debug Info

object
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_id
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ELHGV83J7Tp
spectrumID
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ELHGV83J7Tp
cost
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1
specType
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131072
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dbLocation
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WMS3X:77124:1
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
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compound
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1735074081058
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Oct-(4E)-enoic acid <ethyl-> ester
SpectraBase Compound ID HfDl0N5wyab
InChI InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKey WRUZCQAJIHSQPL-VOTSOKGWSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELHGV83J7Tp
Name Ethyl-(4E)-octenoate
CAS Registry Number 78989-37-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
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/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h6-7H,3-5,8-9H2,1-2H3/b7-6+
InChIKey WRUZCQAJIHSQPL-VOTSOKGWSA-N
Molecular Weight 170.252 g/mol
SMILES CCOC(=O)CC\C=C\CCC
SPLASH splash10-0536-9000000000-094e8eff3e5c7c11a6a5
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1886308
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