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3-(1H-Indol-3-yl)-2-(toluene-4-sulfonylamino)-propionic acid
SpectraBase Compound ID 4r8RTtMQZVF
InChI InChI=1S/C18H18N2O4S/c1-12-6-8-14(9-7-12)25(23,24)20-17(18(21)22)10-13-11-19-16-5-3-2-4-15(13)16/h2-9,11,17,19-20H,10H2,1H3,(H,21,22)
InChIKey LFRLEBFHLCJPDU-UHFFFAOYSA-N
Mol Weight 358.41 g/mol
Molecular Formula C18H18N2O4S
Exact Mass 358.098728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FafowCDVIJe
Name 3-(1H-INDOL-3-YL)-2-(TOLUENE-4-SULFONYLAMINO)PROPIONIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H18N2O4S
InChI InChI=1S/C18H18N2O4S/c1-12-6-8-14(9-7-12)25(23,24)20-17(18(21)22)10-13-11-19-16-5-3-2-4-15(13)16/h2-9,11,17,19-20H,10H2,1H3,(H,21,22)
InChIKey LFRLEBFHLCJPDU-UHFFFAOYSA-N
Molecular Weight 358.0983
SMILES [nH]1c2c(c(CC(C(=O)O)NS(c3ccc(C)cc3)(=O)=O)c1)cccc2
SPLASH splash10-001i-1900000000-53cf3e75d049f1fbfcfb
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany