| SpectraBase Compound ID | 34BwnppFd4O |
|---|---|
| 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 |
| Mol Weight | 450.7 g/mol |
| Molecular Formula | C31H46O2 |
| Exact Mass | 450.349781 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HDCugV4XwqP |
|---|---|
| Name | Vitamin K |
| Alternate Name(s) | .alpha.-Phylloquinone 1,4-Naphthalenedione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)- 1,4-Naphthoquinone, 2-methyl-3-phytyl- 2',3'-trans-Vitamin K1 2-Methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-1,4-naphthalenedione 2-Methyl-3-phythyl-1,4-naphthochinon 2-Methyl-3-phytyl-1,4-naphthochinon 2-Methyl-3-phytyl-1,4-naphthoquinone 2-Methyl-3-phytyl-1,4-napthoquinone 2-Methyl-3-[(2E)-3,7,11,15-tetramethyl-2-hexadecenyl]naphthoquinone 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-naphthoquinone 2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione 3-Phytylmenadione Antihemorrhagic vitamin Aqua Mephyton Aqua-Mephytin Combinal K1 K-Ject Kativ N Kephton Kinadion Konakion Mephyton Mono-Kay Monodion Phyllochinon Phylloquinone Phythyl-menadion Phytomenadione Phytonadione Phytylmenadione Synthex P trans-Phylloquinone Vitamin K1 Vitamin K1(20) |
| CAS Registry Number | 84-80-0 |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 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+ |
| InChIKey | MBWXNTAXLNYFJB-LKUDQCMESA-N |
| Molecular Weight | 450.707 g/mol |
| SMILES | C1(=C(C(=O)c2c(C1=O)cccc2)C)C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C |
| SPLASH | splash10-0udi-0000900000-041dd3a62d25dd3a233e |
| Source of Spectrum | C-116-9839-9 |
| Wiley ID | 1387871 |