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[4,4,5,5-tetradeuterate]-2-Hydroxytridecan-6-yl acetate
SpectraBase Compound ID 1neOsZAPPoe
InChI InChI=1S/C15H30O3/c1-4-5-6-7-8-11-15(18-14(3)17)12-9-10-13(2)16/h13,15-16H,4-12H2,1-3H3/i9D2,12D2
InChIKey YSXHJAKPUYRCQV-ZXSHKXLLSA-N
Mol Weight 262.43 g/mol
Molecular Formula C15H26D4O3
Exact Mass 262.244602 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID INAICb1p8cB
Name [4,4,5,5-tetradeuterate]-2-Hydroxytridecan-6-yl acetate
Alternate Name(s) 2-Hydroxytridecan-6-yl-4,4,5,5-d4 acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26D4O3
InChI InChI=1S/C15H30O3/c1-4-5-6-7-8-11-15(18-14(3)17)12-9-10-13(2)16/h13,15-16H,4-12H2,1-3H3/i9D2,12D2
InChIKey YSXHJAKPUYRCQV-ZXSHKXLLSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 262.426 g/mol
SMILES OC(C)CC([D])([D])C([D])([D])C(CCCCCCC)OC(C)=O
SPLASH splash10-0006-9000000000-4dd85eea1cc7885c9177
Source of Spectrum CBC-12-169-[D4]_36
Wiley ID 1786710