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3-Nonene-2,5-diol, 5-butyl-1-methoxy-, 2-acetate, [S-(E)]-
SpectraBase Compound ID FJ3gCY43CtK
InChI InChI=1S/C16H30O4/c1-5-7-10-16(18,11-8-6-2)12-9-15(13-19-4)20-14(3)17/h9,12,15,18H,5-8,10-11,13H2,1-4H3/b12-9+/t15-/m0/s1
InChIKey UGOXBDUHKNXTQX-RZXPCSSPSA-N
Mol Weight 286.41 g/mol
Molecular Formula C16H30O4
Exact Mass 286.214409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DtsqiDNzI1J
Name 3-Nonene-2,5-diol, 5-butyl-1-methoxy-, 2-acetate, [S-(E)]-
Alternate Name(s) (+)-S-(E)-2-Acetoxy-5-n-butyl-1-methoxy-3-nonen-5-ol (1S,2E)-4-butyl-4-hydroxy-1-(methoxymethyl)-2-octenyl acetate
CAS Registry Number 59726-77-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H30O4
InChI InChI=1S/C16H30O4/c1-5-7-10-16(18,11-8-6-2)12-9-15(13-19-4)20-14(3)17/h9,12,15,18H,5-8,10-11,13H2,1-4H3/b12-9+/t15-/m0/s1
InChIKey UGOXBDUHKNXTQX-RZXPCSSPSA-N
Molecular Weight 286.412 g/mol
SMILES OC(\C=C\[C@](OC(=O)C)(COC)[H])(CCCC)CCCC
SPLASH splash10-014i-4900000000-0cf9d0cfd93510e61170
Source of Spectrum K-109-1719-0
Wiley ID 1289901