| SpectraBase Spectrum ID |
5kbx3uQHaJA |
| Name |
Vitamin K Oxide-(18)O |
| Comments |
Less than 3 mono-isotopic peaks; Original formula: C31H46O2[18O] |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H46O3 |
| InChI |
InChI=1S/C31H46O3/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-19-31(6)28(34-31)20-27-24(5)29(32)25-17-7-8-18-26(25)30(27)33/h7-8,17-18,21-23,28H,9-16,19-20H2,1-6H3/i34+2 |
| InChIKey |
XIKNTKPLCMKTSC-SBGDUCACSA-N |
| Molecular Weight |
468.706 g/mol |
| SMILES |
C(CC1(C(CC=2C(c3c(C(C2C)=O)cccc3)=O)[18O]1)C)CC(CCCC(CCCC(C)C)C)C |
| SPLASH |
splash10-014i-0000900000-7a2c24cda940eb1ec1cc |
| Source of Spectrum |
C-116-9839-0 |
| Wiley ID |
1392073 |
