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(Z)-.alpha.-(Phenylethynylpentylidene)-.beta.-(n-pentyl)-.beta.-lactone
SpectraBase Compound ID GJ5dbzLToSP
InChI InChI=1S/C21H26O2/c1-3-5-8-14-19-20(21(22)23-19)18(13-6-4-2)16-15-17-11-9-7-10-12-17/h7,9-12,19H,3-6,8,13-14H2,1-2H3/b20-18-
InChIKey OYLADHYJCPVVJP-ZZEZOPTASA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gkrpVW4va5
Name (Z)-.alpha.-(Phenylethynylpentylidene)-.beta.-(n-pentyl)-.beta.-lactone
Comments Less than 3 mono-isotopic peaks
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Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-3-5-8-14-19-20(21(22)23-19)18(13-6-4-2)16-15-17-11-9-7-10-12-17/h7,9-12,19H,3-6,8,13-14H2,1-2H3/b20-18-
InChIKey OYLADHYJCPVVJP-ZZEZOPTASA-N
Molecular Weight 310.437 g/mol
SMILES C1(\C(C(O1)CCCCC)=C/(C#Cc1ccccc1)CCCC)=O
SPLASH splash10-000i-0092000000-2b9f5714f2bfaefdf22a
Source of Spectrum F-70-2575-9
Synonyms (3Z)-4-pentyl-3-(1-phenylhept-1-yn-3-ylidene)-2-oxetanone (3Z)-4-pentyl-3-[1-(2-phenylethynyl)pentylidene]oxetan-2-one (3Z)-4-pentyl-3-(1-phenylhept-1-yn-3-ylidene)oxetan-2-one
Wiley ID 1596648