| SpectraBase Spectrum ID |
Jf18rmAolIz |
| Name |
Dimenthyl 5-methyl-1,5-cyclohexenyl phosphate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.321196987 u |
| Formula |
C27H47O4P |
| InChI |
InChI=1S/C27H47O4P/c1-18(2)24-13-11-21(6)16-26(24)30-32(28,29-23-10-8-9-20(5)15-23)31-27-17-22(7)12-14-25(27)19(3)4/h10,15,18-19,21-22,24-27H,8-9,11-14,16-17H2,1-7H3 |
| InChIKey |
WOROMKGKOYQKTF-UHFFFAOYSA-N |
| Molecular Weight |
466.643 g/mol |
| SMILES |
C1(OP(OC2C(CCC(C2)C)C(C)C)(OC=2C=C(C)CCC2)=O)C(CCC(C1)C)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.920568 |
