Debug Info

object
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_id
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GNee7dlKbGO
spectrumID
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GNee7dlKbGO
cost
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specType
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131072
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dbLocation
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WMSR3X:15440:1
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MS (GC)
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Mass Spectrum (GC)
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compound
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Methyl octanoate
SpectraBase Compound ID 7E2G5g3nIeB
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GNee7dlKbGO
Name Octanoic acid methyl ester
CAS Registry Number 111-11-5
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-6-7-8-9(10)11-2/h3-8H2,1-2H3
InChIKey JGHZJRVDZXSNKQ-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES CCCCCCCC(=O)OC
SPLASH splash10-05fu-9000000000-858f75415b7a66985e2d
Source of Spectrum Va-0-0-0
Synonyms Octanoic acid, methyl ester Caprylic acid methyl ester Methyl caprylate Methyl ester of octanoic acid Methyl n-octanoate Methyl octanoate Methyl octylate n-Caprylic acid methyl ester Uniphat A20 AI3-01979 BRN 1752270 EINECS 203-835-0 FEMA NO. 2728 HSDB 5544 NSC 3710
Wiley ID 742192
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