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YBJHBAHKTGYVGT-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR, and 7 MS (GC)

YBJHBAHKTGYVGT-UHFFFAOYSA-N
SpectraBase Compound ID 3DNVQsbU2Mv
InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
InChIKey YBJHBAHKTGYVGT-UHFFFAOYSA-N
Mol Weight 244.31 g/mol
Molecular Formula C10H16N2O3S
Exact Mass 244.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzdhT4GKHwG
Name 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3a.alpha.,4.beta.,6a.alpha.)]-
CAS Registry Number 58-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16N2O3S
InChI InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
InChIKey YBJHBAHKTGYVGT-UHFFFAOYSA-N
Molecular Weight 244.309 g/mol
SMILES N1C2C(CCCCC(=O)O)SCC2NC1=O
SPLASH splash10-014j-9200000000-eeafe8075f0771a65c8b
Source of Spectrum PG-1982-1208-0
Synonyms 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid (+)-Biotin (3aS,4S,6aR)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-valeric acid (3aS-(3aalpha,4b,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidaz- ole-4-pentanoic acid 1H-thieno(3,4-d)imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS-(3aalpha,4b,6aalpha))- 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, (3aS,4S,6aR)- Biotin 1H-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3aS-(3aalpha,4beta,6aalpha)]- 2'-keto-3,4-imidazolido-2-tetrahydrothiophene-N-valeric acid 5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)valeric acid 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid 5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid 5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoic acid 5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoic acid Biodermatin Bioepiderm Bios II Biotina Biotine Biotinum cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid cis-hexahydro-2-oxo-1H-thieno(3,4)imidazole-4-valeric acid cis-tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid Coenzyme R component of Deca-Vi-Sol D-(+)-Biotin d-Biotin D-biotin factor S Factor s Factor S (vitamin) Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid Hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-pentanoic acid, (3aS-(3aalpha,4beta,6aalpha))- Injacom H Lutavit H2 Meribin Rovimix H 2 Vitamin b7 Vitamin h AI3-51198 CCRIS 3932 EINECS 200-399-3 HSDB 346 NSC 63865
Wiley ID 1246566