For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-(tert-butoxycarbonylamino)-3-(2-thioxo-4-imidazolin-4-yl)propionic acid methyl ester
SpectraBase Compound ID 5RQJH1kP1RY
InChI InChI=1S/C12H19N3O4S/c1-12(2,3)19-11(17)15-8(9(16)18-4)5-7-6-13-10(20)14-7/h6,8H,5H2,1-4H3,(H,15,17)(H2,13,14,20)/t8-/m0/s1
InChIKey IOYYAPGZLIIUNS-QMMMGPOBSA-N
Mol Weight 301.36 g/mol
Molecular Formula C12H19N3O4S
Exact Mass 301.109627 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7s44hTWD6Tz
Name 2-(tert-butoxycarbonylamino)-3-(2-thioxo-4-imidazolin-4-yl)propionic acid methyl ester
Alternate Name(s) 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid methyl ester Methyl 2-(tert-butoxycarbonylamino)-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate Methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoic acid methyl ester Methyl (2S)-2-(tert-butoxycarbonylamino)-3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoate Methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H19N3O4S
InChI InChI=1S/C12H19N3O4S/c1-12(2,3)19-11(17)15-8(9(16)18-4)5-7-6-13-10(20)14-7/h6,8H,5H2,1-4H3,(H,15,17)(H2,13,14,20)/t8-/m0/s1
InChIKey IOYYAPGZLIIUNS-QMMMGPOBSA-N
Molecular Weight 301.361 g/mol
SMILES N1C(C[C@](NC(OC(C)(C)C)=O)(C(=O)OC)[H])=CNC1=S
SPLASH splash10-01r7-4931000000-e54dd8fac3f0c125b5d4
Source of Spectrum J-60-6300-7
Wiley ID 1303616