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[1S-(1.beta.,2.alpha.,5.alpha.)]-5-Methyl-2-(1-methylethyl)cyclohexyl 2,4-hexadienoate
SpectraBase Compound ID 9ht3sVieT2b
InChI InChI=1S/C16H26O2/c1-5-6-7-8-16(17)18-15-11-13(4)9-10-14(15)12(2)3/h5-8,12-15H,9-11H2,1-4H3/b6-5+,8-7+/t13-,14-,15+/m1/s1
InChIKey NTIXMLWIARAWJY-FOKNCOIPSA-N
Mol Weight 250.38 g/mol
Molecular Formula C16H26O2
Exact Mass 250.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CeTWdEc0F9R
Name [1S-(1.beta.,2.alpha.,5.alpha.)]-5-Methyl-2-(1-methylethyl)cyclohexyl 2,4-hexadienoate
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Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-5-6-7-8-16(17)18-15-11-13(4)9-10-14(15)12(2)3/h5-8,12-15H,9-11H2,1-4H3/b6-5+,8-7+/t13-,14-,15+/m1/s1
InChIKey NTIXMLWIARAWJY-FOKNCOIPSA-N
Molecular Weight 250.382 g/mol
SMILES [C@@]1([C@](CC[C@](C1)(C)[H])(C(C)C)[H])(OC(\C=C\C=C\C)=O)[H]
SPLASH splash10-000b-9600000000-2be9985dbbb047869a59
Source of Spectrum C-115-1394-43
Synonyms (1S,2S,5S)-2-isopropyl-5-methylcyclohexyl (2E,4E)-2,4-hexadienoate [1S-(1.alpha.,2.beta.,5.beta.)]-5-Methyl-2-(1-methylethyl)cyclohexyl 2,4-hexadienoate
Wiley ID 1253962