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1H-Indole, 2-[2-(hydroxymethyl)benzoyl]-1-(phenylsulfonyl)-
SpectraBase Compound ID 8pGqckTm6rY
InChI InChI=1S/C22H17NO4S/c24-15-17-9-4-6-12-19(17)22(25)21-14-16-8-5-7-13-20(16)23(21)28(26,27)18-10-2-1-3-11-18/h1-14,24H,15H2
InChIKey PVHYHTYSMQONQE-UHFFFAOYSA-N
Mol Weight 391.44 g/mol
Molecular Formula C22H17NO4S
Exact Mass 391.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1y9MQq7NCnX
Name 1H-Indole, 2-[2-(hydroxymethyl)benzoyl]-1-(phenylsulfonyl)-
Alternate Name(s) 1-Phenylsulphonylindol-2-yl 2-hydroxymethylphenyl ketone [2-(hydroxymethyl)phenyl][1-(phenylsulfonyl)-1H-indol-2-yl]methanone
CAS Registry Number 65112-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17NO4S
InChI InChI=1S/C22H17NO4S/c24-15-17-9-4-6-12-19(17)22(25)21-14-16-8-5-7-13-20(16)23(21)28(26,27)18-10-2-1-3-11-18/h1-14,24H,15H2
InChIKey PVHYHTYSMQONQE-UHFFFAOYSA-N
Molecular Weight 391.441 g/mol
SMILES OCc1c(C(c2[n](S(=O)(=O)c3ccccc3)c3c(cccc3)c2)=O)cccc1
SPLASH splash10-03di-0091000000-54212e24dedbf4af551e
Source of Spectrum KC-1981-3010-0
Wiley ID 1365363