(4S,8aS)-3-phenyl-4-m-tolyl-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine

SpectraBase Compound ID	FGkBP1ZFyNm
InChI	InChI=1S/C21H22N4/c1-15-7-5-10-17(13-15)20-21-19(16-8-3-2-4-9-16)22-23-25(21)14-18-11-6-12-24(18)20/h2-5,7-10,13,18,20H,6,11-12,14H2,1H3/t18-,20-/m0/s1
InChIKey	IAOPXMJEHMWVPS-ICSRJNTNSA-N Google Search
Mol Weight	330.44 g/mol
Molecular Formula	C21H22N4
Exact Mass	330.184447 g/mol

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SpectraBase Spectrum ID	1mlXyy5tom
Name	(4S,8aS)-3-phenyl-4-m-tolyl-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	C21H22N4
InChI	InChI=1S/C21H22N4/c1-15-7-5-10-17(13-15)20-21-19(16-8-3-2-4-9-16)22-23-25(21)14-18-11-6-12-24(18)20/h2-5,7-10,13,18,20H,6,11-12,14H2,1H3/t18-,20-/m0/s1
InChIKey	IAOPXMJEHMWVPS-ICSRJNTNSA-N
Literature Reference DOI	10.1039/c4ra03232b
Molecular Weight	330.435 g/mol
SMILES	c1(c2[C@@](N3CCC[C@]3(C[n]2nn1)[H])(c1cc(ccc1)C)[H])-c1ccccc1
SPLASH	splash10-0a7i-1923000000-dcd39cec23bb755ebd49
Source of Spectrum	RSA-4-26301/SMS9-2c
Synonyms	(4S,8aS)-3-phenyl-4-(m-tolyl)-4,6,7,8,8a,9-hexahydropyrrolo[1,2-a][1,2,3]triazolo[1,5-d]pyrazine
Wiley ID	1751430