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Phytonadione
SpectraBase Compound ID EknsQkjx7Qf
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
InChIKey MBWXNTAXLNYFJB-NKFFZRIASA-N
Mol Weight 450.7 g/mol
Molecular Formula C31H46O2
Exact Mass 450.349781 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Ar9xV4tfICm
Name Phylloquinone (Vitamin K1)
Source of Sample Supelco, Sigma-Aldrich Inc.
Catalog Number 47773
Lot Number LB60604
Accessory DurasamplIR II
CAS Registry Number 84-80-0
Copyright Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46O2
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
InChIKey MBWXNTAXLNYFJB-NKFFZRIASA-N
Instrument Name Bio-Rad FTS
Source of Spectrum Forensic Spectral Research
Synonyms Phytonadione; VITAMIN K1 1,4-Naphthalenedione, 2-methyl-3-((2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl)-
Technique ATR-Neat (DuraSamplIR II)