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tert-Butyl 2-([(6-methyl-1,3-benzothiazol-2-yl)amino]carbonyl)-1-pyrrolidinecarboxylate
SpectraBase Compound ID 1NHOhjOiN54
InChI InChI=1S/C18H23N3O3S/c1-11-7-8-12-14(10-11)25-16(19-12)20-15(22)13-6-5-9-21(13)17(23)24-18(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,20,22)
InChIKey OOXGPUOQOTWUAC-UHFFFAOYSA-N
Mol Weight 361.46 g/mol
Molecular Formula C18H23N3O3S
Exact Mass 361.146013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jzh1zriaCaz
Name tert-Butyl 2-([(6-methyl-1,3-benzothiazol-2-yl)amino]carbonyl)-1-pyrrolidinecarboxylate
CAS Registry Number 312713-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23N3O3S
InChI InChI=1S/C18H23N3O3S/c1-11-7-8-12-14(10-11)25-16(19-12)20-15(22)13-6-5-9-21(13)17(23)24-18(2,3)4/h7-8,10,13H,5-6,9H2,1-4H3,(H,19,20,22)
InChIKey OOXGPUOQOTWUAC-UHFFFAOYSA-N
Molecular Weight 361.460 g/mol
SMILES N(C(=O)C1N(CCC1)C(OC(C)(C)C)=O)c1sc2cc(ccc2n1)C
SPLASH splash10-06xx-9700000000-01b9752ed40c5e9a0a92
Source of Spectrum AD-0-2532-0
Synonyms 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylic acid tert-butyl ester 2-[[(6-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester Pyrrolidine-1-carboxylic acid, 2-(6-methyl-2-benzothiazolyl)aminocarbonyl-, tert-butyl ester tert-Butyl 2-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]pyrrolidine-1-carboxylate
Wiley ID 1426576