| SpectraBase Compound ID | 1lr354xGD1d |
|---|---|
| InChI | InChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3 |
| InChIKey | SCLDYIHKBCFVTE-UHFFFAOYSA-N |
| Mol Weight | 444.7 g/mol |
| Molecular Formula | C30H52O2 |
| Exact Mass | 444.396731 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HQ6EKdDm43g |
|---|---|
| Name | 2H-1-Benzopyran, 3,4-dihydro-6-methoxy-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl )-; chroman, 6-methoxy-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-; tocopherol methyl ether |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 444.396730912 u |
| Formula | C30H52O2 |
| InChI | InChI=1S/C30H52O2/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-30(8)20-18-27-26(7)28(31-9)24(5)25(6)29(27)32-30/h21-23H,10-20H2,1-9H3 |
| InChIKey | SCLDYIHKBCFVTE-UHFFFAOYSA-N |
| Molecular Weight | 444.744 g/mol |
| SMILES | C1(CCC2=C(C(=C(C(=C2O1)C)C)OC)C)(C)CCCC(CCCC(CCCC(C)C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.97493 |