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[D4]-Vitamin K1

View entire compound with spectra: 1 MS (GC)

[D4]-Vitamin K1
SpectraBase Compound ID 5JKjoO8yE7v
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+/t23-,24-/m1/s1/i7D,8D,18D,19D
InChIKey MBWXNTAXLNYFJB-AANPTJBWSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H42D4O2
Exact Mass 454.374888 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdByQt2BzOm
Name [D4]-Vitamin K1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H42D4O2
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+/t23-,24-/m1/s1/i7D,8D,18D,19D
InChIKey MBWXNTAXLNYFJB-AANPTJBWSA-N
Molecular Weight 454.731 g/mol
SMILES c1(c(c2c(c(c1[D])[D])C(C(=C(C2=O)C)C\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)=O)[D])[D]
SPLASH splash10-0udi-0360900000-ae9bb39b5c3051729eb6
Source of Spectrum RCM-20-1897-Fig4c
Synonyms 2-Methyl-3-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione-5,6,7,8-d4
Wiley ID 1820327