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Octadecanoic acid, 2-chloro-, methyl ester

View entire compound with spectra: 2 MS (GC)

Octadecanoic acid, 2-chloro-, methyl ester
SpectraBase Compound ID 8hPyycZ2Jes
InChI InChI=1S/C19H37ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h18H,3-17H2,1-2H3
InChIKey ZCHHUNXPPDBGNO-UHFFFAOYSA-N
Mol Weight 333.0 g/mol
Molecular Formula C19H37ClO2
Exact Mass 332.248208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UmTSavrSOa
Name Octadecanoic acid, 2-chloro-, methyl ester
Alternate Name(s) Methyl 2-chlorooctadecanoate 2-Chlorooctadecanoic acid methyl ester Methyl alpha-chlorostearate 2-Chlorostearic acid methyl ester Methyl 2-chloranyloctadecanoate 2-Chlorooctadecanoic acid, methyl ester
CAS Registry Number 41753-99-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H37ClO2
InChI InChI=1S/C19H37ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22-2/h18H,3-17H2,1-2H3
InChIKey ZCHHUNXPPDBGNO-UHFFFAOYSA-N
Molecular Weight 332.956 g/mol
SMILES C(CCCCCCCCCCCCCCC)C(C(OC)=O)Cl
SPLASH splash10-0a4l-9510000000-e66fdf73fd0ad9df4ac5
Source of Spectrum AA-0-1957-1
Wiley ID 49632