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vitamin K1(20) trideuterated

View entire compound with spectra: 1 MS (GC)

vitamin K1(20) trideuterated
SpectraBase Compound ID nOa22irCkI
InChI InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20-/i6D3
InChIKey MBWXNTAXLNYFJB-QESOFBBOSA-N
Mol Weight 453.7 g/mol
Molecular Formula C31H43D3O2
Exact Mass 453.368611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wyLhJmOWwu
Name vitamin K1(20) trideuterated
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H43D3O2
InChI InChI=1S/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3/b25-20-/i6D3
InChIKey MBWXNTAXLNYFJB-QESOFBBOSA-N
Molecular Weight 453.725 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2)C\C=C/(CCCC(CCCC(CCCC(C)C)C)C)C)C([D])([D])[D]
SPLASH splash10-0ug0-0490300000-9a64a9cb86f26546a26d
Source of Spectrum O-31-655-0
Wiley ID 1387873