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

*Links on SpectraBase are not permalinks.

(4R,8aS)-3-phenyl-4-(thiophen-3-yl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine

View entire compound with spectra: 1 MS (GC)

(4R,8aS)-3-phenyl-4-(thiophen-3-yl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
SpectraBase Compound ID A4MqOnDgUZs
InChI InChI=1S/C18H18N4S/c1-2-5-13(6-3-1)16-18-17(14-8-10-23-12-14)21-9-4-7-15(21)11-22(18)20-19-16/h1-3,5-6,8,10,12,15,17H,4,7,9,11H2/t15-,17-/m0/s1
InChIKey USCNSLYNAAKYAT-RDJZCZTQSA-N
Mol Weight 322.43 g/mol
Molecular Formula C18H18N4S
Exact Mass 322.125218 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 Ln7KR26ZCDl
Name (4R,8aS)-3-phenyl-4-(thiophen-3-yl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N4S
InChI InChI=1S/C18H18N4S/c1-2-5-13(6-3-1)16-18-17(14-8-10-23-12-14)21-9-4-7-15(21)11-22(18)20-19-16/h1-3,5-6,8,10,12,15,17H,4,7,9,11H2/t15-,17-/m0/s1
InChIKey USCNSLYNAAKYAT-RDJZCZTQSA-N
Literature Reference DOI 10.1039/c4ra03232b
Molecular Weight 322.430 g/mol
SMILES c1(-c2ccccc2)c2[C@](c3ccsc3)(N3CCC[C@@]3([H])C[n]2nn1)[H]
SPLASH splash10-00kf-0891000000-9025aed8cbad68d1ef25
Source of Spectrum RSA-4-26301/SMS13-2s
Synonyms (4S,8aS)-3-phenyl-4-(thiophen-3-yl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Wiley ID 1751445