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3-(1H-indol-3-yl)propyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

3-(1H-indol-3-yl)propyl 4-methylbenzenesulfonate
SpectraBase Compound ID A5AOmI0cuKr
InChI InChI=1S/C18H19NO3S/c1-14-8-10-16(11-9-14)23(20,21)22-12-4-5-15-13-19-18-7-3-2-6-17(15)18/h2-3,6-11,13,19H,4-5,12H2,1H3
InChIKey MERTXFWGALCWFT-UHFFFAOYSA-N
Mol Weight 329.41 g/mol
Molecular Formula C18H19NO3S
Exact Mass 329.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8PHNT1F4kYl
Name 3-(1H-indol-3-yl)propyl 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid 3-(1H-indol-3-yl)propyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3S
InChI InChI=1S/C18H19NO3S/c1-14-8-10-16(11-9-14)23(20,21)22-12-4-5-15-13-19-18-7-3-2-6-17(15)18/h2-3,6-11,13,19H,4-5,12H2,1H3
InChIKey MERTXFWGALCWFT-UHFFFAOYSA-N
Molecular Weight 329.414 g/mol
SMILES [nH]1c2c(c(c1)CCCOS(c1ccc(cc1)C)(=O)=O)cccc2
SPLASH splash10-001i-1902000000-1cdea74602309aee8ae4
Source of Spectrum KC-1992-820-0
Wiley ID 776222