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trans/cis-1-Butyl-4-[(E)-1-ethyl-1-pentenyl]-3-[(E)-2-phenyl-1-ethenyl]-2-azetanone
SpectraBase Compound ID 4fwZ5CsUDdi
InChI InChI=1S/C22H31NO/c1-4-7-14-19(6-3)21-20(22(24)23(21)17-8-5-2)16-15-18-12-10-9-11-13-18/h9-16,20-21H,4-8,17H2,1-3H3/b16-15+,19-14+
InChIKey JQUOTJPYKJQSQW-XKMLCGDKSA-N
Mol Weight 325.5 g/mol
Molecular Formula C22H31NO
Exact Mass 325.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iMRcu40sYb
Name trans/cis-1-Butyl-4-[(E)-1-ethyl-1-pentenyl]-3-[(E)-2-phenyl-1-ethenyl]-2-azetanone
Comments Less than 3 mono-isotopic peaks
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Formula C22H31NO
InChI InChI=1S/C22H31NO/c1-4-7-14-19(6-3)21-20(22(24)23(21)17-8-5-2)16-15-18-12-10-9-11-13-18/h9-16,20-21H,4-8,17H2,1-3H3/b16-15+,19-14+
InChIKey JQUOTJPYKJQSQW-XKMLCGDKSA-N
Molecular Weight 325.496 g/mol
SMILES C1(C(=O)N(C1\C(=C\CCC)CC)CCCC)\C=C\c1ccccc1
SPLASH splash10-004i-0009000000-b41839ed61ee835b8f44
Source of Spectrum QB-21-543-0
Wiley ID 860596