| SpectraBase Spectrum ID |
A11KsXjauhD |
| Name |
Phytonadione |
| Source of Sample |
Spectrum Chemical Manufacturing Corp. |
| Catalog Number |
PH195 |
| Lot Number |
WG0878 |
| CAS Registry Number |
84-80-0 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2025 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
502 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
c12ccccc1C(\C(=C/(C2=O)C\C=C\(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C)C)=O |
| Scans Performed |
4608 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Vitamin K1 |
| Technique |
FT-Raman |
