For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Ethyl (2E)-3-[4-(allyloxy)-3-iodo-5-methoxyphenyl]-2-cyano-2-propenoate
SpectraBase Compound ID 5qaQ4IXDG8z
InChI InChI=1S/C16H16INO4/c1-4-6-22-15-13(17)8-11(9-14(15)20-3)7-12(10-18)16(19)21-5-2/h4,7-9H,1,5-6H2,2-3H3/b12-7+
InChIKey XKMKGFIYAKRDQG-KPKJPENVSA-N
Mol Weight 413.21 g/mol
Molecular Formula C16H16INO4
Exact Mass 413.012403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B3j1b3CZ4G8
Name Ethyl (2E)-3-[4-(allyloxy)-3-iodo-5-methoxyphenyl]-2-cyano-2-propenoate
CAS Registry Number 331845-08-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16INO4
InChI InChI=1S/C16H16INO4/c1-4-6-22-15-13(17)8-11(9-14(15)20-3)7-12(10-18)16(19)21-5-2/h4,7-9H,1,5-6H2,2-3H3/b12-7+
InChIKey XKMKGFIYAKRDQG-KPKJPENVSA-N
Molecular Weight 413.211 g/mol
SMILES c1(c(cc(\C=C\(C(OCC)=O)C#N)cc1I)OC)OCC=C
SPLASH splash10-00dr-3933100000-63776121aa6f136b39d9
Synonyms (E)-2-cyano-3-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)-2-propenoic acid ethyl ester (E)-3-(4-allyloxy-3-iodo-5-methoxy-phenyl)-2-cyano-acrylic acid ethyl ester 3-(4-Allyloxy-3-iodo-5-methoxy-phenyl)-2-cyano-acrylic acid ethyl ester Ethyl (E)-2-cyano-3-(3-iodanyl-5-methoxy-4-prop-2-enoxy-phenyl)prop-2-enoate Ethyl (E)-2-cyano-3-(3-iodo-5-methoxy-4-prop-2-enoxyphenyl)prop-2-enoate Ethyl (E)-3-(4-allyloxy-3-iodo-5-methoxy-phenyl)-2-cyano-prop-2-enoate
Wiley ID 1459144