Debug Info

object
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_id
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BzcxJTABLb5
spectrumID
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BzcxJTABLb5
cost
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1
specType
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131072
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dbLocation
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WMSR3X:30964:1
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1735074081058
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cis-13-Docosenoic acid, methyl ester
SpectraBase Compound ID AbyrPAqi5xw
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-
InChIKey ZYNDJIBBPLNPOW-KHPPLWFESA-N
Mol Weight 352.6 g/mol
Molecular Formula C23H44O2
Exact Mass 352.334131 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzcxJTABLb5
Name 13-Docosenoic acid, methyl ester, (Z)-
CAS Registry Number 1120-34-9
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H44O2
InChI InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10-
InChIKey ZYNDJIBBPLNPOW-KHPPLWFESA-N
Molecular Weight 352.603 g/mol
SMILES CCCCCCCC\C=C/CCCCCCCCCCCC(=O)OC
SPLASH splash10-0avl-9000000000-d062a61ee7baab0511af
Source of Spectrum Va-0-0-0
Synonyms Methyl (13Z)-13-docosenoate (Z)-13-docosenoic acid methyl ester (Z)-docos-13-enoic acid methyl ester 13-Docosenoic acid, (Z)-, methyl ester 13-Docosenoic acid, methyl ester, (13Z)- cis-13-docosenoic acid methyl ester Erucic acid, methyl ester Methyl (Z)-13 docosenoate Methyl (Z)-docos-13-enoate Methyl cis-13-docosenoate Methyl erucate AI3-11100 EINECS 214-305-3
Wiley ID 739944
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