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(E)-7-(1,3-benzodioxol-5-yl)-6-heptenoic acid 3-hydroxypropyl ester
SpectraBase Compound ID E1U9PXg0K9q
InChI InChI=1S/C17H22O5/c18-10-5-11-20-17(19)7-4-2-1-3-6-14-8-9-15-16(12-14)22-13-21-15/h3,6,8-9,12,18H,1-2,4-5,7,10-11,13H2/b6-3+
InChIKey WVNKVOCTQUAWQT-ZZXKWVIFSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FehOwDmKHc
Name (E)-7-(1,3-benzodioxol-5-yl)-6-heptenoic acid 3-hydroxypropyl ester
Alternate Name(s) (E)-7-(1,3-benzodioxol-5-yl)hept-6-enoic acid 3-hydroxypropyl ester 3-Hydroxypropyl (E)-7-(1,3-benzodioxol-5-yl)hept-6-enoate 3-Oxidanylpropyl (E)-7-(1,3-benzodioxol-5-yl)hept-6-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c18-10-5-11-20-17(19)7-4-2-1-3-6-14-8-9-15-16(12-14)22-13-21-15/h3,6,8-9,12,18H,1-2,4-5,7,10-11,13H2/b6-3+
InChIKey WVNKVOCTQUAWQT-ZZXKWVIFSA-N
Molecular Weight 306.358 g/mol
SMILES OCCCOC(CCCC\C=C\c1cc2c(OCO2)cc1)=O
SPLASH splash10-0540-0903000000-0a363a4be56f64eea6d6
Source of Spectrum F-50-11117-5
Wiley ID 789554