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

*Links on SpectraBase are not permalinks.
Phenylacetic acid, 4-chloro-, hexyl ester
SpectraBase Compound ID 8wycKnqXPrG
InChI InChI=1S/C14H19ClO2/c1-2-3-4-5-10-17-14(16)11-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3
InChIKey ZRHSSOVTRTYRTE-UHFFFAOYSA-N
Mol Weight 254.76 g/mol
Molecular Formula C14H19ClO2
Exact Mass 254.107358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID JhLwjNtxfgt
Name Phenylacetic acid, 4-chloro-, hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.107357550 u
Formula C14H19ClO2
InChI InChI=1S/C14H19ClO2/c1-2-3-4-5-10-17-14(16)11-12-6-8-13(15)9-7-12/h6-9H,2-5,10-11H2,1H3
InChIKey ZRHSSOVTRTYRTE-UHFFFAOYSA-N
Molecular Weight 254.757 g/mol
SMILES C(OCCCCCC)(CC1=CC=C(C=C1)Cl)=O