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Methyl 3-Hexyl-2-hydroxy-6-methyl-5-(phenylsulfonyl)benzoate
SpectraBase Compound ID BIFfgGIIKPc
InChI InChI=1S/C21H26O5S/c1-4-5-6-8-11-16-14-18(15(2)19(20(16)22)21(23)26-3)27(24,25)17-12-9-7-10-13-17/h7,9-10,12-14,22H,4-6,8,11H2,1-3H3
InChIKey QGTUFXSJMAKBBZ-UHFFFAOYSA-N
Mol Weight 390.49 g/mol
Molecular Formula C21H26O5S
Exact Mass 390.150095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWLu7Qqft1S
Name Methyl 3-Hexyl-2-hydroxy-6-methyl-5-(phenylsulfonyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5S
InChI InChI=1S/C21H26O5S/c1-4-5-6-8-11-16-14-18(15(2)19(20(16)22)21(23)26-3)27(24,25)17-12-9-7-10-13-17/h7,9-10,12-14,22H,4-6,8,11H2,1-3H3
InChIKey QGTUFXSJMAKBBZ-UHFFFAOYSA-N
Molecular Weight 390.494 g/mol
SMILES Oc1c(cc(S(=O)(=O)c2ccccc2)c(c1C(=O)OC)C)CCCCCC
SPLASH splash10-000i-6089000000-065c6c0f381f14eabe08
Source of Spectrum F4-41-2228-4f
Wiley ID 1672597