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2-Hydroxy-3-(palmitoyloxy)propyl (9E)-9-octadecenoate
SpectraBase Compound ID EQahbZOBEpU
InChI InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17+
InChIKey NBBXPULYBQASLG-ISLYRVAYSA-N
Mol Weight 595.0 g/mol
Molecular Formula C37H70O5
Exact Mass 594.522325 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HFLsZuQgej
Name 2-Hydroxy-3-(palmitoyloxy)propyl (9E)-9-octadecenoate
Alternate Name(s) (3-hexadecanoyloxy-2-hydroxy-propyl) (E)-octadec-9-enoate (3-hexadecanoyloxy-2-oxidanyl-propyl) (E)-octadec-9-enoate (E)-octadec-9-enoic acid (3-hexadecanoyloxy-2-hydroxy-propyl) ester 9-Octadecenoic acid (Z)-, 2-hydroxy-3-[(1-oxohexadecyl)oxy]propyl ester (E)-9-octadecenoic acid [2-hydroxy-3-(1-oxohexadecoxy)propyl] ester
CAS Registry Number 3343-30-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C37H70O5
InChI InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-34-35(38)33-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38H,3-16,19-34H2,1-2H3/b18-17+
InChIKey NBBXPULYBQASLG-ISLYRVAYSA-N
Molecular Weight 594.962 g/mol
SMILES OC(COC(CCCCCCC\C=C\CCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCC
SPLASH splash10-0btc-9211000000-cb7e92bc4f5fd1f1d2ac
Source of Spectrum HE-1982-0-0
Wiley ID 1409691