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2H-Pyran-2-one, 3-(3,7-dimethyl-2,6-octadienyl)tetrahydro-4-methyl-, [3R-[3.alpha.(E),4.beta.]]-
SpectraBase Compound ID F9CbzXvhAgM
InChI InChI=1S/C16H26O2/c1-12(2)6-5-7-13(3)8-9-15-14(4)10-11-18-16(15)17/h6,8,14-15H,5,7,9-11H2,1-4H3/b13-8+/t14-,15+/m0/s1
InChIKey ZYKXITXUUOFRGP-WAYTWBJWSA-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 A8EfnOCImr2
Name 2H-Pyran-2-one, 3-(3,7-dimethyl-2,6-octadienyl)tetrahydro-4-methyl-, [3R-[3.alpha.(E),4.beta.]]-
CAS Registry Number 118512-40-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O2
InChI InChI=1S/C16H26O2/c1-12(2)6-5-7-13(3)8-9-15-14(4)10-11-18-16(15)17/h6,8,14-15H,5,7,9-11H2,1-4H3/b13-8+/t14-,15+/m0/s1
InChIKey ZYKXITXUUOFRGP-WAYTWBJWSA-N
Molecular Weight 250.382 g/mol
SMILES C1([C@](C\C=C\(CCC=C(C)C)C)([C@@](C)(CCO1)[H])[H])=O
SPLASH splash10-0903-8920000000-ab50d4667957553b3200
Source of Spectrum F-44-1483-2
Synonyms (2R,3S,2'E)-2-(3,7-dimethyl-2,6-octadienyl)-3-methyl-5-pentanolide (3R,4S)-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-4-methyltetrahydro-2H-pyran-2-one
Wiley ID 1253924