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

*Links on SpectraBase are not permalinks.
Methyl 3-(4-Chlorophenylsulfonyl)-5-hexyl-6-hydroxy-2-methylbenzoate
SpectraBase Compound ID 7ce8VRETrDg
InChI InChI=1S/C21H25ClO5S/c1-4-5-6-7-8-15-13-18(14(2)19(20(15)23)21(24)27-3)28(25,26)17-11-9-16(22)10-12-17/h9-13,23H,4-8H2,1-3H3
InChIKey YJRDAMAUJYKFCL-UHFFFAOYSA-N
Mol Weight 424.94 g/mol
Molecular Formula C21H25ClO5S
Exact Mass 424.111123 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 F13Y03L4You
Name Methyl 3-(4-Chlorophenylsulfonyl)-5-hexyl-6-hydroxy-2-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25ClO5S
InChI InChI=1S/C21H25ClO5S/c1-4-5-6-7-8-15-13-18(14(2)19(20(15)23)21(24)27-3)28(25,26)17-11-9-16(22)10-12-17/h9-13,23H,4-8H2,1-3H3
InChIKey YJRDAMAUJYKFCL-UHFFFAOYSA-N
Molecular Weight 424.939 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)Cl)(=O)=O)c(c1C(=O)OC)C)CCCCCC
SPLASH splash10-00di-0019200000-bc7461fff732bac79d1d
Source of Spectrum F4-41-2232-4w
Wiley ID 1672580