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3-Methyl-2-oxo-3-phenylsulfanyl-2,3-dihydro-indole-1,5-dicarboxylic acid 5-tert-butyl ester 1-methyl ester
SpectraBase Compound ID ANQQtu7Aav5
InChI InChI=1S/C22H23NO5S/c1-21(2,3)28-18(24)14-11-12-17-16(13-14)22(4,19(25)23(17)20(26)27-5)29-15-9-7-6-8-10-15/h6-13H,1-5H3
InChIKey JARYQXHUNCUUGQ-UHFFFAOYSA-N
Mol Weight 413.49 g/mol
Molecular Formula C22H23NO5S
Exact Mass 413.129694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4JyyIZZeHMX
Name 3-Methyl-2-oxo-3-phenylsulfanyl-2,3-dihydro-indole-1,5-dicarboxylic acid 5-tert-butyl ester 1-methyl ester
Alternate Name(s) Methyl 3-methyl-3-phenylsulfanyl-5-(tert-butoxycarbonyl)-2-oxoindole-1-carboxylate 5-(tert-Butoxycarbonyl)-3-methyl-3-(phenylthio)-2-oxoindole-1-carboxylate 5-tert-Butyl 1-methyl 3-methyl-2-oxo-3-(phenylsulfanyl)-1,5-indolinedicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23NO5S
InChI InChI=1S/C22H23NO5S/c1-21(2,3)28-18(24)14-11-12-17-16(13-14)22(4,19(25)23(17)20(26)27-5)29-15-9-7-6-8-10-15/h6-13H,1-5H3
InChIKey JARYQXHUNCUUGQ-UHFFFAOYSA-N
Molecular Weight 413.488 g/mol
SMILES C1(N(c2ccc(cc2C1(Sc1ccccc1)C)C(=O)OC(C)(C)C)C(=O)OC)=O
SPLASH splash10-0pb9-9015000000-440ae7a11975c95f7737
Source of Spectrum O1-55-1037-13
Wiley ID 1591227