| SpectraBase Compound ID | 94nT2X5OfMU |
|---|---|
| InChI | InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31+/m1/s1 |
| InChIKey | ZAKOWWREFLAJOT-PKIAKLFDSA-N |
| Mol Weight | 472.8 g/mol |
| Molecular Formula | C31H52O3 |
| Exact Mass | 472.391646 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LxUb1PAq02X |
|---|---|
| Name | Vitamin E acetate |
| Alternate Name(s) | .alpha.-Tocopheryl acetate acetic acid [(2S)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydro-2H-1-benzopyran-6-yl] ester [(2S)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] acetate [(2S)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]chroman-6-yl] acetate [(2S)-2,5,7,8-tetramethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-3,4-dihydrochromen-6-yl] ethanoate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H52O3 |
| InChI | InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31+/m1/s1 |
| InChIKey | ZAKOWWREFLAJOT-PKIAKLFDSA-N |
| Molecular Weight | 472.754 g/mol |
| SMILES | c12c(c(C)c(c(c2C)C)OC(=O)C)CC[C@@](O1)(CCC[C@@](CCC[C@@](CCCC(C)C)(C)[H])(C)[H])C |
| SPLASH | splash10-0089-0000900000-bc2835b08528b40692b1 |
| Source of Spectrum | QA-33-176-0 |
| Wiley ID | 860994 |