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Methyl 3-decyl-2-hydroxy-6-methyl-5-(phenylsulfonyl)benzoate
SpectraBase Compound ID 57MgeWCBkBX
InChI InChI=1S/C25H34O5S/c1-4-5-6-7-8-9-10-12-15-20-18-22(19(2)23(24(20)26)25(27)30-3)31(28,29)21-16-13-11-14-17-21/h11,13-14,16-18,26H,4-10,12,15H2,1-3H3
InChIKey GJLQNVHALQPLAU-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C25H34O5S
Exact Mass 446.212695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2zHkXseqsS
Name Methyl 3-decyl-2-hydroxy-6-methyl-5-(phenylsulfonyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O5S
InChI InChI=1S/C25H34O5S/c1-4-5-6-7-8-9-10-12-15-20-18-22(19(2)23(24(20)26)25(27)30-3)31(28,29)21-16-13-11-14-17-21/h11,13-14,16-18,26H,4-10,12,15H2,1-3H3
InChIKey GJLQNVHALQPLAU-UHFFFAOYSA-N
Molecular Weight 446.602 g/mol
SMILES Oc1c(cc(S(=O)(=O)c2ccccc2)c(c1C(=O)OC)C)CCCCCCCCCC
SPLASH splash10-01q1-0196400000-8edc4c65b2558ca335be
Source of Spectrum F4-41-2229-4j
Wiley ID 1672593