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Ethanimidothioic acid, 2-[[[[(1,1-dimethylethoxy)carbonyl]amino]acet yl]amino]-, ethyl ester
SpectraBase Compound ID J9dGtCGrfbE
InChI InChI=1S/C11H21N3O3S/c1-5-18-8(12)6-13-9(15)7-14-10(16)17-11(2,3)4/h12H,5-7H2,1-4H3,(H,13,15)(H,14,16)
InChIKey AFPOBYZKLZZKQG-UHFFFAOYSA-N
Mol Weight 275.37 g/mol
Molecular Formula C11H21N3O3S
Exact Mass 275.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID woWCioh7MX
Name Ethanimidothioic acid, 2-[[[[(1,1-dimethylethoxy)carbonyl]amino]acet yl]amino]-, ethyl ester
CAS Registry Number 109947-92-4
Comments Less than 3 mono-isotopic peaks
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Formula C11H21N3O3S
InChI InChI=1S/C11H21N3O3S/c1-5-18-8(12)6-13-9(15)7-14-10(16)17-11(2,3)4/h12H,5-7H2,1-4H3,(H,13,15)(H,14,16)
InChIKey AFPOBYZKLZZKQG-UHFFFAOYSA-N
Molecular Weight 275.367 g/mol
SMILES N(C(OC(C)(C)C)=O)CC(NCC(=N)SCC)=O
SPLASH splash10-0a4i-9000000000-ee23534983a5e6b23015
Source of Spectrum H-69-1251-14
Synonyms ethyl 2-({[(tert-butoxycarbonyl)amino]acetyl}amino)ethanimidothioate N-(tert-butoxycarbonyl)-glycyl-glycin-imidthiosaure-S-ethylester
Wiley ID 1278856