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1H-Thieno[3,4-d]imidazole-4-propanoic acid, hexahydro-2-oxo-, [3aS-(3a.alpha.,4.beta.,6a.alpha.)]-
SpectraBase Compound ID Lsr7oz5v2Ld
InChI InChI=1S/C8H12N2O3S/c11-6(12)2-1-5-7-4(3-14-5)9-8(13)10-7/h4-5,7H,1-3H2,(H,11,12)(H2,9,10,13)
InChIKey QDFGCLSCEPNVQP-UHFFFAOYSA-N
Mol Weight 216.25 g/mol
Molecular Formula C8H12N2O3S
Exact Mass 216.056863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L38PkmWJKKi
Name 1H-Thieno[3,4-d]imidazole-4-propanoic acid, hexahydro-2-oxo-, [3aS-(3a.alpha.,4.beta.,6a.alpha.)]-
CAS Registry Number 16968-98-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O3S
InChI InChI=1S/C8H12N2O3S/c11-6(12)2-1-5-7-4(3-14-5)9-8(13)10-7/h4-5,7H,1-3H2,(H,11,12)(H2,9,10,13)
InChIKey QDFGCLSCEPNVQP-UHFFFAOYSA-N
Molecular Weight 216.255 g/mol
SMILES OC(CCC1C2C(CS1)NC(N2)=O)=O
SPLASH splash10-000b-8910000000-af7d48e018b0146fade7
Source of Spectrum AE-244-1395-2
Synonyms 1H-Thieno[3,4-d]imidazole-4-propionic acid, hexahydro-2-oxo- 3-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)propionic acid 3-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)propanoic acid 3-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)propanoic acid Bisnorbiotin D-allobisnorbiotin
Wiley ID 1214981