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

*Links on SpectraBase are not permalinks.
Methyl 3-(4-Chlorophenylsulfonyl)-5-octyl-6-hydroxy-2-methylbenzoate
SpectraBase Compound ID ftTq3sedbM
InChI InChI=1S/C23H29ClO5S/c1-4-5-6-7-8-9-10-17-15-20(16(2)21(22(17)25)23(26)29-3)30(27,28)19-13-11-18(24)12-14-19/h11-15,25H,4-10H2,1-3H3
InChIKey MSUNTSCPMICTNW-UHFFFAOYSA-N
Mol Weight 452.99 g/mol
Molecular Formula C23H29ClO5S
Exact Mass 452.142423 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 4Q6rSIamH2w
Name Methyl 3-(4-Chlorophenylsulfonyl)-5-octyl-6-hydroxy-2-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H29ClO5S
InChI InChI=1S/C23H29ClO5S/c1-4-5-6-7-8-9-10-17-15-20(16(2)21(22(17)25)23(26)29-3)30(27,28)19-13-11-18(24)12-14-19/h11-15,25H,4-10H2,1-3H3
InChIKey MSUNTSCPMICTNW-UHFFFAOYSA-N
Molecular Weight 452.993 g/mol
SMILES Oc1c(cc(S(c2ccc(cc2)Cl)(=O)=O)c(c1C(=O)OC)C)CCCCCCCC
SPLASH splash10-0fk9-0009700000-d1f44e1dd4d1c4003c3e
Source of Spectrum F4-41-2232-4y
Wiley ID 1672578