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Cyclopentatriazole, 1-benzo[b]thien-3-yl-1,3a,4,5,6,6a-hexahydro-6a-(1-pyrrolidinyl)-, cis-
SpectraBase Compound ID 9RytHi2pDbq
InChI InChI=1S/C17H20N4S/c1-2-7-15-13(6-1)14(12-22-15)21-17(20-10-3-4-11-20)9-5-8-16(17)18-19-21/h1-2,6-7,12,16H,3-5,8-11H2
InChIKey YPKVAOJZZDCBJP-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 E7mwr5IDpDN
Name Cyclopentatriazole, 1-benzo[b]thien-3-yl-1,3a,4,5,6,6a-hexahydro-6a-(1-pyrrolidinyl)-, cis-
CAS Registry Number 132681-71-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4S
InChI InChI=1S/C17H20N4S/c1-2-7-15-13(6-1)14(12-22-15)21-17(20-10-3-4-11-20)9-5-8-16(17)18-19-21/h1-2,6-7,12,16H,3-5,8-11H2
InChIKey YPKVAOJZZDCBJP-UHFFFAOYSA-N
Molecular Weight 312.435 g/mol
SMILES C12(N(N=NC2CCC1)c1csc2c1cccc2)N1CCCC1
SPLASH splash10-0079-2920000000-ec257ecfb580d7849a8a
Source of Spectrum KC-1990-2977-12
Synonyms 1,3a,4,5,6,6a-hexahydro-6a-(n-pyrrolidinyl)-1-(3-benzo-[b]thienyl)cyclopentatriazole 1-(1-benzothien-3-yl)-6a-(1-pyrrolidinyl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d][1,2,3]triazole
Wiley ID 1313257