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(3aR,4R,6aS)-(-)-Hexahydro-3-methyl-2-oxo-1H-thieno-[3,4-d]imidazole-4-valeric acid
SpectraBase Compound ID 903sxvZcJMM
InChI InChI=1S/C11H18N2O3S/c1-13-10-7(12-11(13)16)6-17-8(10)4-2-3-5-9(14)15/h7-8,10H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,8-,10-/m1/s1
InChIKey WKLPIJMDCAIFAP-NQMVMOMDSA-N
Mol Weight 258.34 g/mol
Molecular Formula C11H18N2O3S
Exact Mass 258.103814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HSJgzD8u0ri
Name (3aR,4R,6aS)-(-)-Hexahydro-3-methyl-2-oxo-1H-thieno-[3,4-d]imidazole-4-valeric acid
CAS Registry Number 64912-43-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H18N2O3S
InChI InChI=1S/C11H18N2O3S/c1-13-10-7(12-11(13)16)6-17-8(10)4-2-3-5-9(14)15/h7-8,10H,2-6H2,1H3,(H,12,16)(H,14,15)/t7-,8-,10-/m1/s1
InChIKey WKLPIJMDCAIFAP-NQMVMOMDSA-N
Molecular Weight 258.336 g/mol
SMILES OC(CCCC[C@@]1([C@@]2(N(C(N[C@@]2(CS1)[H])=O)C)[H])[H])=O
SPLASH splash10-03di-8900000000-ddccfcaaf9244454125b
Source of Spectrum J-43-1085-0
Synonyms 5-[(3aR,4R,6aS)-3-methyl-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Wiley ID 1261322