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Carbamic acid, [2-[[(2,5-dihydro-4-isocyanato-5-oxo-3-furanyl)methyl]thio]ethenyl]-, 1,1-dimethylethyl ester, (Z)-
SpectraBase Compound ID 9PuBZp1j2nT
InChI InChI=1S/C13H16N2O5S/c1-13(2,3)20-12(18)14-4-5-21-7-9-6-19-11(17)10(9)15-8-16/h4-5H,6-7H2,1-3H3,(H,14,18)/b5-4-
InChIKey ZTLYAYGEKZLJEL-PLNGDYQASA-N
Mol Weight 312.34 g/mol
Molecular Formula C13H16N2O5S
Exact Mass 312.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gy7xdi61TKI
Name Carbamic acid, [2-[[(2,5-dihydro-4-isocyanato-5-oxo-3-furanyl)methyl]thio]ethenyl]-, 1,1-dimethylethyl ester, (Z)-
CAS Registry Number 61485-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O5S
InChI InChI=1S/C13H16N2O5S/c1-13(2,3)20-12(18)14-4-5-21-7-9-6-19-11(17)10(9)15-8-16/h4-5H,6-7H2,1-3H3,(H,14,18)/b5-4-
InChIKey ZTLYAYGEKZLJEL-PLNGDYQASA-N
Molecular Weight 312.340 g/mol
SMILES N(C(OC(C)(C)C)=O)\C=C/SCC1=C(C(OC1)=O)N=C=O
SPLASH splash10-0uk9-9120000000-67b6c969ea9a1253c9c8
Source of Spectrum H-59-1996-12
Synonyms 3-Isocyanato-4-(b-(t-butoxycarbonyl-amino)-vinylthio)methyl-2(5H)-duranone tert-Butyl (Z)-2-{[(4-isocyanato-5-oxo-2,5-dihydro-3-furanyl)methyl]sulfanyl}ethenylcarbamate
Wiley ID 1312902