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3-Nonene-2,5-diol, 5-butyl-1-methoxy-, diacetate, [S-(E)]-
SpectraBase Compound ID FnoK93LKQ0Y
InChI InChI=1S/C18H32O5/c1-6-8-11-18(12-9-7-2,23-16(4)20)13-10-17(14-21-5)22-15(3)19/h10,13,17H,6-9,11-12,14H2,1-5H3/b13-10+/t17-/m0/s1
InChIKey NVGVFNDNPHZZBW-RTGRKSDTSA-N
Mol Weight 328.4 g/mol
Molecular Formula C18H32O5
Exact Mass 328.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eFSCvk6Dzh
Name 3-Nonene-2,5-diol, 5-butyl-1-methoxy-, diacetate, [S-(E)]-
Alternate Name(s) (+)-S-(E)-2,5-Diacetoxy-5-n-butyl-1-methoxy-3-nonen (1S,2E)-4-(acetyloxy)-4-butyl-1-(methoxymethyl)-2-octenyl acetate
CAS Registry Number 59726-78-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H32O5
InChI InChI=1S/C18H32O5/c1-6-8-11-18(12-9-7-2,23-16(4)20)13-10-17(14-21-5)22-15(3)19/h10,13,17H,6-9,11-12,14H2,1-5H3/b13-10+/t17-/m0/s1
InChIKey NVGVFNDNPHZZBW-RTGRKSDTSA-N
Molecular Weight 328.449 g/mol
SMILES [C@](\C=C\C(OC(=O)C)(CCCC)CCCC)(OC(=O)C)(COC)[H]
SPLASH splash10-001i-4910000000-d3cb591c641880d0d461
Source of Spectrum K-109-1720-0
Wiley ID 1326295