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(3S,5R,7R)-3,5,7-trimethyldecane-2,8-diol
SpectraBase Compound ID 9j8P08Fgn2i
InChI InChI=1S/C13H28O2/c1-6-13(15)11(4)8-9(2)7-10(3)12(5)14/h9-15H,6-8H2,1-5H3/t9-,10+,11-,12?,13?/m1/s1
InChIKey PRSSZYFHVWRGQH-HXFVIYLFSA-N
Mol Weight 216.36 g/mol
Molecular Formula C13H28O2
Exact Mass 216.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AUcDNBNMJlf
Name (3S,5R,7R)-3,5,7-trimethyldecane-2,8-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H28O2
InChI InChI=1S/C13H28O2/c1-6-13(15)11(4)8-9(2)7-10(3)12(5)14/h9-15H,6-8H2,1-5H3/t9-,10+,11-,12?,13?/m1/s1
InChIKey PRSSZYFHVWRGQH-HXFVIYLFSA-N
Instrument Name Shimadzu QP-2010 GC-MS
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00806
Molecular Weight 216.365 g/mol
SMILES OC([C@@](C[C@@](C[C@@](C(O)C)(C)[H])(C)[H])(C)[H])CC
SPLASH splash10-0aou-9100000000-0aa365a1423be442dc1f
Source of Spectrum G4-81-172-Figure 2B
Wiley ID 1867647