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6,7 dideutero octadecanoic acid
SpectraBase Compound ID GiNJ79cAU26
InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i12D,13D
InChIKey QIQXTHQIDYTFRH-LNBFZYQFSA-N
Mol Weight 286.5 g/mol
Molecular Formula C18H342D2O2
Exact Mass 286.284084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2aIUrdyx9bv
Name 6,7 dideutero octadecanoic acid
CAS Registry Number 56599-52-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H34D2O2
InChI InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)/i12D,13D
InChIKey QIQXTHQIDYTFRH-LNBFZYQFSA-N
Molecular Weight 286.496 g/mol
SMILES OC(=O)CCCCC(C(CCCCCCCCCCC)[2D])[2D]
SPLASH splash10-08fu-9210000000-bbef382c3030c7256890
Source of Spectrum EP-5125-0-0
Wiley ID 1288347