| SpectraBase Spectrum ID |
7OgDzTjGWgX |
| Name |
(+-)-(3S,4R)-3-((S)-1-(Oxazol-4-yl)propan-2-yl)-1-oxoisochroman-4-yl 4-nitrobenzoate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H18N2O7 |
| InChI |
InChI=1S/C22H18N2O7/c1-13(10-15-11-29-12-23-15)19-20(17-4-2-3-5-18(17)22(26)30-19)31-21(25)14-6-8-16(9-7-14)24(27)28/h2-9,11-13,19-20H,10H2,1H3/t13-,19-,20+/m0/s1 |
| InChIKey |
OXLQMOPRBXSONI-QTJFZDIUSA-N |
| Molecular Weight |
422.393 g/mol |
| SMILES |
[C@]1([C@@](OC(c2c1cccc2)=O)([C@](Cc1ncoc1)(C)[H])[H])(OC(c1ccc(N(=O)=O)cc1)=O)[H] |
| SPLASH |
splash10-00di-0000900000-8632702f0a27b98156e6 |
| Source of Spectrum |
F-67-9704-19 |
| Wiley ID |
1707366 |
