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.alpha.(E)-(3-Phenylpropynylidene)-.beta.-(hydroxymethyl)-.gamma.-pentyl-.gamma.-butyrolactone
SpectraBase Compound ID 65rtv2mJGgh
InChI InChI=1S/C19H22O3/c1-2-3-5-13-18-17(14-20)16(19(21)22-18)12-8-11-15-9-6-4-7-10-15/h4,6-7,9-10,12,17-18,20H,2-3,5,13-14H2,1H3/b16-12+/t17-,18+/m1/s1
InChIKey UMOQJKYNSIOZPR-QYWGPIJCSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H9J9y8UdDay
Name .alpha.(E)-(3-Phenylpropynylidene)-.beta.-(hydroxymethyl)-.gamma.-pentyl-.gamma.-butyrolactone
Alternate Name(s) (3E)-4-(hydroxymethyl)-5-pentyl-3-(3-phenyl-2-propynylidene)dihydro-2(3H)-furanone (3E,4S,5S)-4-(hydroxymethyl)-5-pentyl-3-(3-phenylprop-2-ynylidene)-2-oxolanone (3E,4S,5S)-4-(hydroxymethyl)-5-pentyl-3-(3-phenylprop-2-ynylidene)tetrahydrofuran-2-one (3E,4S,5S)-4-(hydroxymethyl)-5-pentyl-3-(3-phenylprop-2-ynylidene)oxolan-2-one
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Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-2-3-5-13-18-17(14-20)16(19(21)22-18)12-8-11-15-9-6-4-7-10-15/h4,6-7,9-10,12,17-18,20H,2-3,5,13-14H2,1H3/b16-12+/t17-,18+/m1/s1
InChIKey UMOQJKYNSIOZPR-QYWGPIJCSA-N
Molecular Weight 298.382 g/mol
SMILES OC[C@@]1(\C(C(O[C@]1(CCCCC)[H])=O)=C/C#Cc1ccccc1)[H]
SPLASH splash10-03di-2190000000-859a5afeb4b20b2776e5
Source of Spectrum J-60-1168-27
Wiley ID 1301282