| SpectraBase Spectrum ID |
96c2tfyXmXY |
| Name |
(3S,6R)-3-(3,4-Dimethylbenzyl)-6-isopropyl-3-methyl-5-phenyl-3,6-dihydro-2H-1,4-oxazin-2-one |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C23H27NO2 - which differs from the formula reported for the mass spectrum (C23H27NO4) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H27NO4 |
| InChI |
InChI=1S/C23H27NO2/c1-15(2)21-20(19-9-7-6-8-10-19)24-23(5,22(25)26-21)14-18-12-11-16(3)17(4)13-18/h6-13,15,21H,14H2,1-5H3/t21-,23+/m1/s1 |
| InChIKey |
KFEBBGPGZTZSRE-GGAORHGYSA-N |
| Molecular Weight |
349.474 g/mol |
| SMILES |
Cc1cc(C[C@]2(C(O[C@@](C(=N2)c2ccccc2)(C(C)C)[H])=O)C)ccc1C |
| SPLASH |
splash10-0udi-0900000000-11693ec70df0572cbc7c |
| Source of Spectrum |
SO-0-712-6 |
| Wiley ID |
876576 |
