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(E)-1-(6-chloranylbenzotriazol-1-yl)but-2-en-1-one
SpectraBase Compound ID AupNdvHn6ny
InChI InChI=1S/C10H8ClN3O/c1-2-3-10(15)14-9-6-7(11)4-5-8(9)12-13-14/h2-6H,1H3/b3-2+
InChIKey NJJIHXXHKGJKSK-NSCUHMNNSA-N
Mol Weight 221.65 g/mol
Molecular Formula C10H8ClN3O
Exact Mass 221.03559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7Zxdo2VGmx
Name (E)-1-(6-chloranylbenzotriazol-1-yl)but-2-en-1-one
Alternate Name(s) (E)-1-(6-chloro-1-benzotriazolyl)-2-buten-1-one (E)-1-(6-chlorobenzotriazol-1-yl)but-2-en-1-one
CAS Registry Number 76884-09-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8ClN3O
InChI InChI=1S/C10H8ClN3O/c1-2-3-10(15)14-9-6-7(11)4-5-8(9)12-13-14/h2-6H,1H3/b3-2+
InChIKey NJJIHXXHKGJKSK-NSCUHMNNSA-N
Molecular Weight 221.647 g/mol
SMILES c12nn[n](c2cc(cc1)Cl)C(\C=C\C)=O
SPLASH splash10-014l-9610000000-ecf0f3753d817ab3091d
Source of Spectrum Y-17-1508-0
Wiley ID 1221080