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2-Propenoic acid, 3-chloro-3-[4-(phenylmethoxy)phenyl]-, 3-(1,3-benzodioxol-5-yl)-2-propenyl ester, (?,E)-
SpectraBase Compound ID 3DnJvXyyduP
InChI InChI=1S/C26H21ClO5/c27-23(21-9-11-22(12-10-21)30-17-20-5-2-1-3-6-20)16-26(28)29-14-4-7-19-8-13-24-25(15-19)32-18-31-24/h1-13,15-16H,14,17-18H2/b7-4+,23-16-
InChIKey BONMKQTUXLMALL-MRODXIIYSA-N
Mol Weight 448.9 g/mol
Molecular Formula C26H21ClO5
Exact Mass 448.107751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4y29ZSeC2iu
Name 2-Propenoic acid, 3-chloro-3-[4-(phenylmethoxy)phenyl]-, 3-(1,3-benzodioxol-5-yl)-2-propenyl ester, (?,E)-
Alternate Name(s) (2E)-3-(1,3-benzodioxol-5-yl)-2-propenyl (2Z)-3-[4-(benzyloxy)phenyl]-3-chloro-2-propenoate .beta.-chlorocinnamate
CAS Registry Number 73583-46-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H21ClO5
InChI InChI=1S/C26H21ClO5/c27-23(21-9-11-22(12-10-21)30-17-20-5-2-1-3-6-20)16-26(28)29-14-4-7-19-8-13-24-25(15-19)32-18-31-24/h1-13,15-16H,14,17-18H2/b7-4+,23-16-
InChIKey BONMKQTUXLMALL-MRODXIIYSA-N
Molecular Weight 448.902 g/mol
SMILES c1(\C(=C\C(=O)OC\C=C\c2cc3OCOc3cc2)Cl)ccc(OCc2ccccc2)cc1
SPLASH splash10-00di-0090000000-8d6da9b4a04c13b27393
Source of Spectrum F-35-1670-0
Wiley ID 1387228