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Methyl 3-Heptyl-2-hydroxy-6-methyl-5-(phenylsulfonyl)benzoate

View entire compound with spectra: 1 MS (GC)

Methyl 3-Heptyl-2-hydroxy-6-methyl-5-(phenylsulfonyl)benzoate
SpectraBase Compound ID G7QJJ3o3a0F
InChI InChI=1S/C22H28O5S/c1-4-5-6-7-9-12-17-15-19(16(2)20(21(17)23)22(24)27-3)28(25,26)18-13-10-8-11-14-18/h8,10-11,13-15,23H,4-7,9,12H2,1-3H3
InChIKey SBBAUKOJQIHBHY-UHFFFAOYSA-N
Mol Weight 404.52 g/mol
Molecular Formula C22H28O5S
Exact Mass 404.165745 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kqYkQ97297
Name Methyl 3-Heptyl-2-hydroxy-6-methyl-5-(phenylsulfonyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O5S
InChI InChI=1S/C22H28O5S/c1-4-5-6-7-9-12-17-15-19(16(2)20(21(17)23)22(24)27-3)28(25,26)18-13-10-8-11-14-18/h8,10-11,13-15,23H,4-7,9,12H2,1-3H3
InChIKey SBBAUKOJQIHBHY-UHFFFAOYSA-N
Molecular Weight 404.521 g/mol
SMILES Oc1c(cc(S(=O)(=O)c2ccccc2)c(c1C(=O)OC)C)CCCCCCC
SPLASH splash10-0udl-1309500000-f5ab9a0f51d1d9dcc159
Source of Spectrum F4-41-2229-4g
Wiley ID 1672596