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Pentyl hexadec-12-enoate
SpectraBase Compound ID FatPdSidtxU
InChI InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h7-8H,3-6,9-20H2,1-2H3/b8-7+
InChIKey IGGCZPGKDZKTPZ-BQYQJAHWSA-N
Mol Weight 324.5 g/mol
Molecular Formula C21H40O2
Exact Mass 324.302831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7nRkJMcsf5a
Name Pentyl hexadec-12-enoate
Alternate Name(s) (E)-12-hexadecenoic acid pentyl ester Pentyl (E)-hexadec-12-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H40O2
InChI InChI=1S/C21H40O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-21(22)23-20-18-6-4-2/h7-8H,3-6,9-20H2,1-2H3/b8-7+
InChIKey IGGCZPGKDZKTPZ-BQYQJAHWSA-N
Molecular Weight 324.549 g/mol
SMILES C(=O)(OCCCCC)CCCCCCCCCC\C=C\CCC
SPLASH splash10-067j-9610000000-d3aef5b26518b2d212e1
Source of Spectrum D9-19-461-2
Wiley ID 1695392