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1,3a,4,5,6,6a-Hexahydro-6a-(N-pyrrolidinyl)-1-(2-benzo[b]-thienyl)cyclopentatriazole
SpectraBase Compound ID 2X8IKEyzyk6
InChI InChI=1S/C17H20N4S/c1-2-7-14-13(6-1)12-16(22-14)21-17(20-10-3-4-11-20)9-5-8-15(17)18-19-21/h1-2,6-7,12,15H,3-5,8-11H2
InChIKey XOCAHVPIBQDDMW-UHFFFAOYSA-N
Mol Weight 312.44 g/mol
Molecular Formula C17H20N4S
Exact Mass 312.140868 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24ZgKKE5gN5
Name 1,3a,4,5,6,6a-Hexahydro-6a-(N-pyrrolidinyl)-1-(2-benzo[b]-thienyl)cyclopentatriazole
CAS Registry Number 132681-61-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4S
InChI InChI=1S/C17H20N4S/c1-2-7-14-13(6-1)12-16(22-14)21-17(20-10-3-4-11-20)9-5-8-15(17)18-19-21/h1-2,6-7,12,15H,3-5,8-11H2
InChIKey XOCAHVPIBQDDMW-UHFFFAOYSA-N
Molecular Weight 312.435 g/mol
SMILES C12(N(N=NC2CCC1)c1sc2ccccc2c1)N1CCCC1
SPLASH splash10-000b-0900000000-356cacccb9dd65f15d13
Source of Spectrum KC-1990-2977-12
Synonyms 1-(1-benzothien-2-yl)-6a-(1-pyrrolidinyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2,3]triazole
Wiley ID 1313256