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Butanoic acid, 3-[[1-(2-propenyl)nonyl]oxy]-, [R-(R*,R*)]-
SpectraBase Compound ID I6iig55GoOs
InChI InChI=1S/C16H30O3/c1-4-6-7-8-9-10-12-15(11-5-2)19-14(3)13-16(17)18/h5,14-15H,2,4,6-13H2,1,3H3,(H,17,18)/t14-,15+/m1/s1
InChIKey BUKZPZBHTVKZEN-CABCVRRESA-N
Mol Weight 270.41 g/mol
Molecular Formula C16H30O3
Exact Mass 270.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lujj7Fc5FVK
Name Butanoic acid, 3-[[1-(2-propenyl)nonyl]oxy]-, [R-(R*,R*)]-
CAS Registry Number 99902-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O3
InChI InChI=1S/C16H30O3/c1-4-6-7-8-9-10-12-15(11-5-2)19-14(3)13-16(17)18/h5,14-15H,2,4,6-13H2,1,3H3,(H,17,18)/t14-,15+/m1/s1
InChIKey BUKZPZBHTVKZEN-CABCVRRESA-N
Molecular Weight 270.413 g/mol
SMILES OC(C[C@](O[C@@](CC=C)(CCCCCCCC)[H])(C)[H])=O
SPLASH splash10-00ku-9000000000-df7459cf8c9e24814e92
Source of Spectrum H-70-461-24
Synonyms (3R)-3-{[(1R)-1-octyl-3-butenyl]oxy}butanoic acid (3R,5R)-3-methyl-5-octyl-4-oxaoct-7-ensaure
Wiley ID 1274491