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4-(3-Trifluoromethoxyphenyl)-3-cyano-but-3-enenitrile
SpectraBase Compound ID 7HLinUBmiJi
InChI InChI=1S/C12H7F3N2O/c13-12(14,15)18-11-3-1-2-9(7-11)6-10(8-17)4-5-16/h1-3,6-7H,4H2/b10-6+
InChIKey LZJSBKQVMQEJMR-UXBLZVDNSA-N
Mol Weight 252.2 g/mol
Molecular Formula C12H7F3N2O
Exact Mass 252.051047 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRV1t2sfxm8
Name 4-(3-Trifluoromethoxyphenyl)-3-cyano-but-3-enenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7F3N2O
InChI InChI=1S/C12H7F3N2O/c13-12(14,15)18-11-3-1-2-9(7-11)6-10(8-17)4-5-16/h1-3,6-7H,4H2/b10-6+
InChIKey LZJSBKQVMQEJMR-UXBLZVDNSA-N
Literature Reference DOI 10.1002/cjoc.20030210737
Molecular Weight 252.196 g/mol
SMILES C(\C(=C\c1cc(ccc1)OC(F)(F)F)CC#N)#N
SPLASH splash10-0udi-0790000000-901dbad280b6ed493cfb
Source of Spectrum CJC-21-908-6d
Synonyms (E)-2-(3-(trifluoromethoxy)benzylidene)succinonitrile
Wiley ID 1773823