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4,5-Dihydropyrrolo[2,1-e][1,3,6]benzotriazocine-6(7H)-thione
SpectraBase Compound ID HEgJERxH1tH
InChI InChI=1S/C12H11N3S/c16-12-13-8-9-4-3-7-15(9)11-6-2-1-5-10(11)14-12/h1-7H,8H2,(H2,13,14,16)
InChIKey FCECJFDCVWMSEU-UHFFFAOYSA-N
Mol Weight 229.3 g/mol
Molecular Formula C12H11N3S
Exact Mass 229.067369 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7DgoBcmH34Z
Name 4,5-Dihydropyrrolo[2,1-e][1,3,6]benzotriazocine-6(7H)-thione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3S
InChI InChI=1S/C12H11N3S/c16-12-13-8-9-4-3-7-15(9)11-6-2-1-5-10(11)14-12/h1-7H,8H2,(H2,13,14,16)
InChIKey FCECJFDCVWMSEU-UHFFFAOYSA-N
Molecular Weight 229.301 g/mol
SMILES N1C(NCc2[n](-c3c1cccc3)ccc2)=S
SPLASH splash10-01dj-3940000000-b15f21debfa2c6acd7a8
Source of Spectrum F-52-10758-24
Wiley ID 798111