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cis-2-((E)-1-(Ethoxycarbonyl)butylidene)-4-(4-cyanophenyl)-3-phenyloxetane
SpectraBase Compound ID 5urgAFY2VBP
InChI InChI=1S/C23H23NO3/c1-3-8-19(23(25)26-4-2)22-20(17-9-6-5-7-10-17)21(27-22)18-13-11-16(15-24)12-14-18/h5-7,9-14,20-21H,3-4,8H2,1-2H3/b22-19+/t20-,21+/m1/s1
InChIKey BBKVNNHHCJZJTL-JVNHBNBASA-N
Mol Weight 361.44 g/mol
Molecular Formula C23H23NO3
Exact Mass 361.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6KY3svXL2a4
Name cis-2-((E)-1-(Ethoxycarbonyl)butylidene)-4-(4-cyanophenyl)-3-phenyloxetane
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Formula C23H23NO3
InChI InChI=1S/C23H23NO3/c1-3-8-19(23(25)26-4-2)22-20(17-9-6-5-7-10-17)21(27-22)18-13-11-16(15-24)12-14-18/h5-7,9-14,20-21H,3-4,8H2,1-2H3/b22-19+/t20-,21+/m1/s1
InChIKey BBKVNNHHCJZJTL-JVNHBNBASA-N
Molecular Weight 361.441 g/mol
SMILES [C@]1(\C(=C\(CCC)C(OCC)=O)O[C@]1(c1ccc(cc1)C#N)[H])(c1ccccc1)[H]
SPLASH splash10-0pc9-6090000000-e4afeddfb0a6e5be912c
Source of Spectrum ACI-53-SMS36-cis_4fa
Synonyms Ethyl (E)-2-((3R,4R)-4-(4-cyanophenyl)-3-phenyloxetan-2-ylidene)pentanoate
Wiley ID 1782088