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(11S)-(+)-Jalapinoic acid
SpectraBase Compound ID 5ygavU01yWS
InChI InChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChIKey YNQGVRJFSHTULP-HNNXBMFYSA-N
Mol Weight 272.4 g/mol
Molecular Formula C16H32O3
Exact Mass 272.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTFLamQQ04J
Name (11S)-(+)-Jalapinoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C16H32O3
InChI InChI=1S/C16H32O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChIKey YNQGVRJFSHTULP-HNNXBMFYSA-N
Molecular Weight 272.429 g/mol
SMILES OC(CCCCCCCCC[C@@](O)(CCCCC)[H])=O
SPLASH splash10-0006-9000000000-eb2c77f1f0f5aad94de5
Source of Spectrum E1-44-1687-7
Synonyms (11S)-11-hydroxyhexadecanoic acid (11S)-11-oxidanylhexadecanoic acid
Wiley ID 1553541