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(Z)-18-[4-[3-(Trifluoromethyl)diazirinyl]phenyl]-9-octadecenoic acid
SpectraBase Compound ID 3B49SZtUMKx
InChI InChI=1S/C26H37F3N2O2/c27-26(28,29)25(30-31-25)23-20-18-22(19-21-23)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24(32)33/h1,3,18-21H,2,4-17H2,(H,32,33)/b3-1-
InChIKey PZWPLOBYHKQESB-IWQZZHSRSA-N
Mol Weight 466.6 g/mol
Molecular Formula C26H37F3N2O2
Exact Mass 466.280713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HXIoktNilzJ
Name (Z)-18-[4-[3-(Trifluoromethyl)diazirinyl]phenyl]-9-octadecenoic acid
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Formula C26H37F3N2O2
InChI InChI=1S/C26H37F3N2O2/c27-26(28,29)25(30-31-25)23-20-18-22(19-21-23)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-24(32)33/h1,3,18-21H,2,4-17H2,(H,32,33)/b3-1-
InChIKey PZWPLOBYHKQESB-IWQZZHSRSA-N
Molecular Weight 466.589 g/mol
SMILES OC(CCCCCCC\C=C/CCCCCCCCc1ccc(C2(N=N2)C(F)(F)F)cc1)=O
SPLASH splash10-0103-4790000000-126890c25c77f6d9110f
Source of Spectrum F-50-3794-13
Synonyms (9Z)-18-{4-[3-(trifluoromethyl)-1H-diazirin-1-yl]phenyl}-9-octadecenoic acid (Z)-18-[4-(3-Trifluoromethyl-3H-diazirin-3-yl)-phenyl]-octadec-9-enoic acid
Wiley ID 1391972