| SpectraBase Spectrum ID |
83JCbEyEaJS |
| Name |
(R*)-Ethyl 4-nitrobenzoyloxy-[( 4-methylphenyl)sulfanyl]acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
375.077658439 u |
| Formula |
C18H17NO6S |
| InChI |
InChI=1S/C18H17NO6S/c1-3-24-17(21)18(26-15-10-4-12(2)5-11-15)25-16(20)13-6-8-14(9-7-13)19(22)23/h4-11,18H,3H2,1-2H3/t18-/m1/s1 |
| InChIKey |
YMGVMAZDHSHUQM-GOSISDBHSA-N |
| Molecular Weight |
375.395 g/mol |
| SMILES |
C=1([N+]([O-])=O)C=CC(C(O[C@@](C(=O)OCC)(SC=2C=CC(=CC2)C)[H])=O)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961584 |
![(R*)-Ethyl 4-nitrobenzoyloxy-[( 4-methylphenyl)sulfanyl]acetate](/api/spectrum/83JCbEyEaJS/structure.png?h=300&w=458 "(R*)-Ethyl 4-nitrobenzoyloxy-[( 4-methylphenyl)sulfanyl]acetate")
