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methyl (2R,3R)-3-acetoxy-2,4,6,8,10-pentamethyl-undecanoate
SpectraBase Compound ID fesQqNNhWE
InChI InChI=1S/C19H36O4/c1-12(2)9-13(3)10-14(4)11-15(5)18(23-17(7)20)16(6)19(21)22-8/h12-16,18H,9-11H2,1-8H3/t13?,14?,15?,16-,18-/m1/s1
InChIKey IWPHIXMEFPMYHZ-KUMZNIRKSA-N
Mol Weight 328.5 g/mol
Molecular Formula C19H36O4
Exact Mass 328.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2ZAxqIZ0ik
Name methyl (2R,3R)-3-acetoxy-2,4,6,8,10-pentamethyl-undecanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36O4
InChI InChI=1S/C19H36O4/c1-12(2)9-13(3)10-14(4)11-15(5)18(23-17(7)20)16(6)19(21)22-8/h12-16,18H,9-11H2,1-8H3/t13?,14?,15?,16-,18-/m1/s1
InChIKey IWPHIXMEFPMYHZ-KUMZNIRKSA-N
Instrument Name HP 5792
Ionization Type EI
Literature Reference DOI 10.1021/np049751v
Molecular Weight 328.493 g/mol
SMILES [C@@](C(C)CC(CC(CC(C)C)C)C)(OC(C)=O)([C@](C(OC)=O)(C)[H])[H]
SPLASH splash10-0006-9200000000-0fd8afe46bce4e40465b
Source of Spectrum G4-68-SM8-8-1
Wiley ID 1881936