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1H-Indole-1-carboxylic acid, 2-(1,3-dithian-2-yl)-, 1,1-dimethylethyl ester
SpectraBase Compound ID 9ao60yLRA1z
InChI InChI=1S/C17H21NO2S2/c1-17(2,3)20-16(19)18-13-8-5-4-7-12(13)11-14(18)15-21-9-6-10-22-15/h4-5,7-8,11,15H,6,9-10H2,1-3H3
InChIKey PEJNTRDSJOPTKJ-UHFFFAOYSA-N
Mol Weight 335.48 g/mol
Molecular Formula C17H21NO2S2
Exact Mass 335.101371 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9K7ntrzyGF
Name 1H-Indole-1-carboxylic acid, 2-(1,3-dithian-2-yl)-, 1,1-dimethylethyl ester
CAS Registry Number 115127-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO2S2
InChI InChI=1S/C17H21NO2S2/c1-17(2,3)20-16(19)18-13-8-5-4-7-12(13)11-14(18)15-21-9-6-10-22-15/h4-5,7-8,11,15H,6,9-10H2,1-3H3
InChIKey PEJNTRDSJOPTKJ-UHFFFAOYSA-N
Molecular Weight 335.480 g/mol
SMILES c1([n](c2c(c1)cccc2)C(OC(C)(C)C)=O)C1SCCCS1
SPLASH splash10-08fr-8922000000-80b9905955bf980590a4
Source of Spectrum F-44-448-1
Synonyms N-tert-butoxycarbonyl-2-(1',3'-dithian-2'-yl)indole tert-Butyl 2-(1,3-dithian-2-yl)-1H-indole-1-carboxylate
Wiley ID 1331607