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

*Links on SpectraBase are not permalinks.
Methyl (E)-4-(4-chlorophenoxy)but-2-enoate
SpectraBase Compound ID JOmlVHC6xys
InChI InChI=1S/C11H11ClO3/c1-14-11(13)3-2-8-15-10-6-4-9(12)5-7-10/h2-7H,8H2,1H3/b3-2+
InChIKey OBTAYRMOBZTQSP-NSCUHMNNSA-N
Mol Weight 226.66 g/mol
Molecular Formula C11H11ClO3
Exact Mass 226.039672 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 I0k98v3xGSr
Name Methyl (E)-4-(4-chlorophenoxy)but-2-enoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.039671911 u
Formula C11H11ClO3
InChI InChI=1S/C11H11ClO3/c1-14-11(13)3-2-8-15-10-6-4-9(12)5-7-10/h2-7H,8H2,1H3/b3-2+
InChIKey OBTAYRMOBZTQSP-NSCUHMNNSA-N
Instrument Name Agilent 6890N/5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.202207406
Molecular Weight 226.659 g/mol
Quality 132
SMILES C1=C(C=CC(=C1)Cl)OC\C=C\C(OC)=O
SPLASH splash10-006t-9010000000-68d7e10b7bf4d3a74653
Source of Spectrum ACI-61-SM6-S4 (DOI: 10.1002/anie.202207406)
Thin-Layer Chromatography 0.22 (hexane/EtOAc, 10:1)
Wiley ID 1897942