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3-Carboxamido-8-methyl-1,2,3-triazolo[1,5-a]-(1,3,5)-benzotriazepine-5-cyclopentylamine
SpectraBase Compound ID 2I7Q8GQynLB
InChI InChI=1S/C16H19N7O/c1-9-6-7-12-11(8-9)19-16(18-10-4-2-3-5-10)20-15-13(14(17)24)21-22-23(12)15/h6-8,10H,2-5H2,1H3,(H2,17,24)(H2,18,19,20)
InChIKey ZMIHZILDOJVUHB-UHFFFAOYSA-N
Mol Weight 325.38 g/mol
Molecular Formula C16H19N7O
Exact Mass 325.165108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjfvRKHUGoK
Name 3-Carboxamido-8-methyl-1,2,3-triazolo[1,5-a]-(1,3,5)-benzotriazepine-5-cyclopentylamine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19N7O
InChI InChI=1S/C16H19N7O/c1-9-6-7-12-11(8-9)19-16(18-10-4-2-3-5-10)20-15-13(14(17)24)21-22-23(12)15/h6-8,10H,2-5H2,1H3,(H2,17,24)(H2,18,19,20)
InChIKey ZMIHZILDOJVUHB-UHFFFAOYSA-N
Molecular Weight 325.376 g/mol
SMILES NC(c1nn[n]-2c1N=C(Nc1c2ccc(c1)C)NC1CCCC1)=O
SPLASH splash10-0a6r-0908000000-1f88678d7aaa2868d640
Source of Spectrum Y-39-1295-8
Wiley ID 1528698