| SpectraBase Spectrum ID |
A13iX92eRCo |
| Name |
2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-3-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.131408092 u |
| Formula |
C19H19NO4 |
| InChI |
InChI=1S/C19H19NO4/c1-24-16-8-7-14-11-19(21)17(10-15(14)9-16)18(12-20(22)23)13-5-3-2-4-6-13/h2-9,17-18H,10-12H2,1H3/t17-,18-/m0/s1 |
| InChIKey |
NVRXGUANTDINJC-ROUUACIJSA-N |
| Molecular Weight |
325.364 g/mol |
| SMILES |
[C@]1(C(CC2=C(C1)C=C(C=C2)OC)=O)([C@@](CN(=O)=O)(C=1C=CC=CC1)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82659 |
![2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-3-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]-](/api/spectrum/A13iX92eRCo/structure.png?h=300&w=458 "2(1H)-Naphthalenone, 3,4-dihydro-6-methoxy-3-(2-nitro-1-phenylethyl)-, [S-(R*,S*)]-")
