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3b,4,5,6-Tetrahydro-5-azido-8H-pyrrolo[2,1-c][1,2,4]triazolo[4,3-a]1,4]benzodiazepin-8-one
SpectraBase Compound ID 5ieMMQEWLNX
InChI InChI=1S/C13H11N7O/c14-18-16-9-3-4-11(21)8-6-19-5-1-2-10(19)13-17-15-7-20(13)12(8)9/h1-2,5-7,9,12H,3-4H2
InChIKey NIOQVANPOYJVEQ-UHFFFAOYSA-N
Mol Weight 281.28 g/mol
Molecular Formula C13H11N7O
Exact Mass 281.102508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtJ2sPu1BRY
Name 3b,4,5,6-Tetrahydro-5-azido-8H-pyrrolo[2,1-c][1,2,4]triazolo[4,3-a]1,4]benzodiazepin-8-one
Alternate Name(s) 5-Azido-4a,5,6,7-tetrahydro-8H-pyrrolo[2,1-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N7O
InChI InChI=1S/C13H11N7O/c14-18-16-9-3-4-11(21)8-6-19-5-1-2-10(19)13-17-15-7-20(13)12(8)9/h1-2,5-7,9,12H,3-4H2
InChIKey NIOQVANPOYJVEQ-UHFFFAOYSA-N
Molecular Weight 281.279 g/mol
SMILES c1-2[n](C3C(=C[n]4c2ccc4)C(CCC3N=[N+]=[N-])=O)cnn1
SPLASH splash10-001j-0390000000-f80d5b0cc650ea2375f0
Source of Spectrum Y-34-1188-21
Wiley ID 1284695