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9-Octadecenoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester, cis-
SpectraBase Compound ID 3QNF7WEdMW5
InChI InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)30-23-26-24-31-28(32-26)25-20-17-16-18-21-25/h9-10,16-18,20-21,26,28H,2-8,11-15,19,22-24H2,1H3/b10-9-
InChIKey CNQPKAWJKUVJLR-KTKRTIGZSA-N
Mol Weight 444.7 g/mol
Molecular Formula C28H44O4
Exact Mass 444.32396 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PQCQAQHELX
Name 9-Octadecenoic acid, (2-phenyl-1,3-dioxolan-4-yl)methyl ester, cis-
Alternate Name(s) (2-Phenyl-1,3-dioxolan-4-yl)methyl (9E)-9-octadecenoate (2-phenyl-1,3-dioxolan-4-yl)methyl (Z)-octadec-9-enoate (Z)-9-octadecenoic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester (Z)-octadec-9-enoic acid (2-phenyl-1,3-dioxolan-4-yl)methyl ester
CAS Registry Number 56599-45-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H44O4
InChI InChI=1S/C28H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-27(29)30-23-26-24-31-28(32-26)25-20-17-16-18-21-25/h9-10,16-18,20-21,26,28H,2-8,11-15,19,22-24H2,1H3/b10-9-
InChIKey CNQPKAWJKUVJLR-KTKRTIGZSA-N
Molecular Weight 444.656 g/mol
SMILES CCCCCCCC\C=C/CCCCCCCC(=O)OCC1COC(O1)c1ccccc1
SPLASH splash10-0a4l-9310000000-03d4276b7da82c602115
Source of Spectrum EP-5326-0-0
Wiley ID 1386135