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

*Links on SpectraBase are not permalinks.
5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-hexyl-valeramide
SpectraBase Compound ID GA1uAbV1dJ1
InChI InChI=1S/C16H29N3O2S/c1-2-3-4-7-10-17-14(20)9-6-5-8-13-15-12(11-22-13)18-16(21)19-15/h12-13,15H,2-11H2,1H3,(H,17,20)(H2,18,19,21)/t12-,13-,15-/m0/s1
InChIKey BUXWVRXRUMUWEB-YDHLFZDLSA-N
Mol Weight 327.49 g/mol
Molecular Formula C16H29N3O2S
Exact Mass 327.198048 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 LAbBR2CqNsi
Name 5-[(3aS,4S,6aR)-2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl]-N-hexyl-valeramide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H29N3O2S
InChI InChI=1S/C16H29N3O2S/c1-2-3-4-7-10-17-14(20)9-6-5-8-13-15-12(11-22-13)18-16(21)19-15/h12-13,15H,2-11H2,1H3,(H,17,20)(H2,18,19,21)/t12-,13-,15-/m0/s1
InChIKey BUXWVRXRUMUWEB-YDHLFZDLSA-N
Molecular Weight 327.487 g/mol
SMILES N1[C@@]2([C@](CCCCC(=O)NCCCCCC)(SC[C@@]2(NC1=O)[H])[H])[H]
SPLASH splash10-0uyi-0910000000-3f02426250d835e8cb7f
Source of Spectrum SK-27-2211-6
Synonyms 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-hexyl-pentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-hexyl-pentanamide
Wiley ID 867987