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2,4-Octadienoic acid, 6-methyl-, 2,3-dihydroxypropyl ester, [R-[R*,S*-(E,E)]]-
SpectraBase Compound ID KG0B1KbmmnH
InChI InChI=1S/C12H20O4/c1-3-10(2)6-4-5-7-12(15)16-9-11(14)8-13/h4-7,10-11,13-14H,3,8-9H2,1-2H3/b6-4+,7-5+/t10-,11+/m0/s1
InChIKey NOGDBKGCSWHQHI-SXAAAOJCSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8CWBAvf5fDu
Name 2,4-Octadienoic acid, 6-methyl-, 2,3-dihydroxypropyl ester, [R-[R*,S*-(E,E)]]-
Alternate Name(s) (+)-(2R)-2,3-Dithydroxyprop-1-yl (6S,2E,4E)-6-methylocta-2,4-dienoate (2E,4E,6S)-6-methylocta-2,4-dienoic acid[(2R)-2,3-dihydroxypropyl]ester (2R)-2,3-dihydroxypropyl (2E,4E,6S)-6-methyl-2,4-octadienoate Glycer-1-yl dendryphiellate A [(2R)-2,3-bis(oxidanyl)propyl](2E,4E,6S)-6-methylocta-2,4-dienoate [(2R)-2,3-dihydroxypropyl](2E,4E,6S)-6-methylocta-2,4-dienoate [(2R)-2,3-dihydroxypropyl] (2E,4E,6S)-6-methylocta-2,4-dienoate [(2R)-2,3-bis(oxidanyl)propyl] (2E,4E,6S)-6-methylocta-2,4-dienoate
CAS Registry Number 133562-46-6
Comments Less than 3 mono-isotopic peaks
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Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-3-10(2)6-4-5-7-12(15)16-9-11(14)8-13/h4-7,10-11,13-14H,3,8-9H2,1-2H3/b6-4+,7-5+/t10-,11+/m0/s1
InChIKey NOGDBKGCSWHQHI-SXAAAOJCSA-N
Molecular Weight 228.288 g/mol
SMILES O[C@](CO)(COC(\C=C\C=C\[C@](CC)(C)[H])=O)[H]
SPLASH splash10-000i-0900000000-703e94b621385782b543
Source of Spectrum H-73-2094-1
Wiley ID 1229537