| SpectraBase Spectrum ID |
50duyZgUj1X |
| Name |
Benzoate of (4S)-2-phenyl-4-tert-butylaminomethyl-1,3-dioxolane |
| Alternate Name(s) |
(4S)-4-[(tert-butylamino)methyl]-2-phenyl-1,3-dioxolan-2-yl benzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H25NO4 |
| InChI |
InChI=1S/C21H25NO4/c1-20(2,3)22-14-18-15-24-21(25-18,17-12-8-5-9-13-17)26-19(23)16-10-6-4-7-11-16/h4-13,18,22H,14-15H2,1-3H3/t18-,21?/m0/s1 |
| InChIKey |
HBVYTRGZICGIMT-YMXDCFFPSA-N |
| Molecular Weight |
355.434 g/mol |
| SMILES |
N(C[C@@]1(OC(OC(=O)c2ccccc2)(OC1)c1ccccc1)[H])C(C)(C)C |
| SPLASH |
splash10-00di-0900000000-8cd6e5c8a0b8c6fe300c |
| Source of Spectrum |
O1-33-379-3 |
| Wiley ID |
819160 |
