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Sulfuric acid, 5,8,11-heptadecatrienyl methyl ester
SpectraBase Compound ID 3D07OfBqnky
InChI InChI=1S/C18H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7+,11-10+,14-13+
InChIKey QSJXEJHZXLDMBJ-SPOHZTNBSA-N
Mol Weight 328.5 g/mol
Molecular Formula C18H32O3S
Exact Mass 328.207216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3n2QzdS0dU
Name Sulfuric acid, 5,8,11-heptadecatrienyl methyl ester
CAS Registry Number 56554-67-7
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O3S
InChI InChI=1S/C18H32O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-22(19)20-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7+,11-10+,14-13+
InChIKey QSJXEJHZXLDMBJ-SPOHZTNBSA-N
Molecular Weight 328.511 g/mol
SMILES C(CCCOS(OC)=O)\C=C\C\C=C\C\C=C\CCCCC
SPLASH splash10-005c-9200000000-158984726ac083d2872d
Source of Spectrum EP-4906-0-0
Synonyms (5E,8E,11E)-5,8,11-Heptadecatrienyl methyl sulfite [(5E,8E,11E)-heptadeca-5,8,11-trienyl] methyl sulfite
Wiley ID 1326293