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3-[3'-(Trifluoromethyl)diazirin-3'-yl]cinnamic acid
SpectraBase Compound ID BypxfrHnhBu
InChI InChI=1S/C11H7F3N2O2/c12-11(13,14)10(15-16-10)8-3-1-2-7(6-8)4-5-9(17)18/h1-6H,(H,17,18)/b5-4+
InChIKey IPTCZYUXIMPIAQ-SNAWJCMRSA-N
Mol Weight 256.18 g/mol
Molecular Formula C11H7F3N2O2
Exact Mass 256.045962 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Cd266RTdGG
Name 3-[3'-(Trifluoromethyl)diazirin-3'-yl]cinnamic acid
Alternate Name(s) (2E)-3-{3-[3-(trifluoromethyl)-3H-diazirin-3-yl]phenyl}-2-propenoic acid
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Formula C11H7F3N2O2
InChI InChI=1S/C11H7F3N2O2/c12-11(13,14)10(15-16-10)8-3-1-2-7(6-8)4-5-9(17)18/h1-6H,(H,17,18)/b5-4+
InChIKey IPTCZYUXIMPIAQ-SNAWJCMRSA-N
Molecular Weight 256.184 g/mol
SMILES OC(\C=C\c1cc(C2(N=N2)C(F)(F)F)ccc1)=O
SPLASH splash10-0059-0960000000-c737bc6ab1a57b1bb5fb
Source of Spectrum U-1992-881-7
Wiley ID 764226