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2-Chloroethyl petroselinate

View entire compound with spectra: 1 MS (GC)

2-Chloroethyl petroselinate
SpectraBase Compound ID IZSHEMrlVSR
InChI InChI=1S/C20H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h12-13H,2-11,14-19H2,1H3/b13-12-
InChIKey NPMDPIJRSODAQG-SEYXRHQNSA-N
Mol Weight 345.0 g/mol
Molecular Formula C20H37ClO2
Exact Mass 344.248208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BzmBKCkhULe
Name 2-Chloroethyl petroselinate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37ClO2
InChI InChI=1S/C20H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)23-19-18-21/h12-13H,2-11,14-19H2,1H3/b13-12-
InChIKey NPMDPIJRSODAQG-SEYXRHQNSA-N
Molecular Weight 344.967 g/mol
SMILES C(=O)(OCCCl)CCCC\C=C/CCCCCCCCCCC
SPLASH splash10-00l2-9300000000-2d5b65e795365669bd80
Source of Spectrum TE-1992-2363-0
Synonyms 2-Chloroethyl (6Z)-6-octadecenoate
Wiley ID 1338074