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7,7-Dimethyl-3-[2-(4-chlorophenyl)[1,2,3]triazole-4-ylmethylene]bicyclo[3.1.1]heptan-2-one
SpectraBase Compound ID IPnWfirzOb2
InChI InChI=1S/C18H18ClN3O/c1-18(2)12-7-11(17(23)16(18)9-12)8-14-10-20-22(21-14)15-5-3-13(19)4-6-15/h3-6,8,10,12,16H,7,9H2,1-2H3/b11-8-
InChIKey IIOPJVDTLBUACT-FLIBITNWSA-N
Mol Weight 327.82 g/mol
Molecular Formula C18H18ClN3O
Exact Mass 327.11384 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kv2ZvLle5yW
Name 7,7-Dimethyl-3-[2-(4-chlorophenyl)[1,2,3]triazole-4-ylmethylene]bicyclo[3.1.1]heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18ClN3O
InChI InChI=1S/C18H18ClN3O/c1-18(2)12-7-11(17(23)16(18)9-12)8-14-10-20-22(21-14)15-5-3-13(19)4-6-15/h3-6,8,10,12,16H,7,9H2,1-2H3/b11-8-
InChIKey IIOPJVDTLBUACT-FLIBITNWSA-N
Molecular Weight 327.815 g/mol
SMILES c1(n[n](nc1)-c1ccc(cc1)Cl)\C=C/1C(C2CC(C2(C)C)C1)=O
SPLASH splash10-0a4i-4791000000-d18944aec5e2c6f2082f
Source of Spectrum KD-15-3722-7
Synonyms (3Z)-3-{[2-(4-chlorophenyl)-2H-1,2,3-triazol-4-yl]methylene}-6,6-dimethylbicyclo[3.1.1]heptan-2-one
Wiley ID 1637400