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2-Butenoic acid, 3-(2-acetyl-3-phenyl-2H-azirin-2-yl)-, 2,2,2-trifluoroethyl ester, (E)-
SpectraBase Compound ID hF85NMSsj3
InChI InChI=1S/C16H14F3NO3/c1-10(8-13(22)23-9-15(17,18)19)16(11(2)21)14(20-16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8+
InChIKey RFUMCDKDZKUZOT-CSKARUKUSA-N
Mol Weight 325.29 g/mol
Molecular Formula C16H14F3NO3
Exact Mass 325.092578 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 55N6PPTM8S0
Name 2-Butenoic acid, 3-(2-acetyl-3-phenyl-2H-azirin-2-yl)-, 2,2,2-trifluoroethyl ester, (E)-
Alternate Name(s) (E)-2-Acetyl-2-(2'-(2'',2'',2'',-trifluorethoxycarbonyl)-1'-methyl-vinyl)-3-phenyl-2H-azirin (E)-2-Acetyl-2-(2'-(2'',2'',2'',-trifluorethoxycarbonyl)-1'-methyl-vinyl)-3-phenyl-2H-azirin 2,2,2-trifluoroethyl (2E)-3-(2-acetyl-3-phenyl-2H-azirin-2-yl)-2-butenoate 2H-azirine, 2-butenoic acid deriv.
CAS Registry Number 61728-49-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14F3NO3
InChI InChI=1S/C16H14F3NO3/c1-10(8-13(22)23-9-15(17,18)19)16(11(2)21)14(20-16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3/b10-8+
InChIKey RFUMCDKDZKUZOT-CSKARUKUSA-N
Molecular Weight 325.287 g/mol
SMILES C1(N=C1c1ccccc1)(\C(=C\C(=O)OCC(F)(F)F)C)C(=O)C
SPLASH splash10-004l-8961000000-ae61fc5c8bfe1b9e6e0b
Source of Spectrum H-59-2097-41
Wiley ID 1323887