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1,3,4-Thiadiazole-3(2H)-acetic acid, 5-[(1,1-dimethylethyl)amino]-2-(phenylimino)-, methyl ester
SpectraBase Compound ID GRLaibIstFT
InChI InChI=1S/C15H20N4O2S/c1-15(2,3)17-13-18-19(10-12(20)21-4)14(22-13)16-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,17,18)/b16-14+
InChIKey PXTQKOFSMWSYFR-JQIJEIRASA-N
Mol Weight 320.41 g/mol
Molecular Formula C15H20N4O2S
Exact Mass 320.130697 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HLDCud0dnuy
Name 1,3,4-Thiadiazole-3(2H)-acetic acid, 5-[(1,1-dimethylethyl)amino]-2-(phenylimino)-, methyl ester
CAS Registry Number 130179-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H20N4O2S
InChI InChI=1S/C15H20N4O2S/c1-15(2,3)17-13-18-19(10-12(20)21-4)14(22-13)16-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,17,18)/b16-14+
InChIKey PXTQKOFSMWSYFR-JQIJEIRASA-N
Molecular Weight 320.411 g/mol
SMILES N(C=1S\C(N(N1)CC(=O)OC)=N\c1ccccc1)C(C)(C)C
SPLASH splash10-0abi-9310000000-ce50786f6d126debea35
Source of Spectrum F-46-4365-6
Synonyms 5-t-butylamino Methyl ((2E)-5-(tert-butylamino)-2-(phenylimino)-1,3,4-thiadiazol-3(2H)-yl)acetate
Wiley ID 1319849