| SpectraBase Spectrum ID |
FFwQzzr6ONd |
| Name |
Phytomenadione |
| CAS Registry Number |
84-80-0 |
| Classification |
Prothrombogenic vitamin |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
450.349780719 u |
| 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+ |
| InChIKey |
MBWXNTAXLNYFJB-LKUDQCMESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
450.707 g/mol |
| Nominal Mass |
450 u |
| Quality |
978 |
| Retention Index |
3287 |
| SMILES |
C=12C(C(C(=C(C2=O)C)C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)=O)=CC=CC1 |
| SPLASH |
splash10-0006-9630100000-44aad11ef1c0e8d4df93 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-Methyl-3-phytyl-1,4-naphthoquinone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009956 |
