| SpectraBase Spectrum ID |
B1AjTCdgNtc |
| Name |
4,5-cis-5,6-trans-5-(Methoxycarbonyl)-4,6-dimethyl-2-(4-nitrophenyl)-3-benzyltetrahydro-1,3-oxazine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24N2O5 |
| InChI |
InChI=1S/C21H24N2O5/c1-14-19(21(24)27-3)15(2)28-20(17-9-11-18(12-10-17)23(25)26)22(14)13-16-7-5-4-6-8-16/h4-12,14-15,19-20H,13H2,1-3H3/t14-,15-,19+,20?/m0/s1 |
| InChIKey |
OHHGCTPAHQQBOP-RIYDLDQQSA-N |
| Molecular Weight |
384.432 g/mol |
| SMILES |
C1(N([C@]([C@]([C@@](O1)(C)[H])(C(=O)OC)[H])(C)[H])Cc1ccccc1)c1ccc(N(=O)=O)cc1 |
| SPLASH |
splash10-0006-9000000000-87056952caa9d306e4fe |
| Source of Spectrum |
J-60-6521-19 |
| Synonyms |
methyl (4S,5R,6S)-3-benzyl-4,6-dimethyl-2-(4-nitrophenyl)tetrahydro-2H-1,3-oxazine-5-carboxylate |
| Wiley ID |
1361570 |
