| SpectraBase Spectrum ID |
Jw2CKMzv2sp |
| Name |
Trans-(S)-benzoic acid 2-nitroso-3-phenypropyl ester dimer |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
538.210386688 u |
| Formula |
C32H30N2O6 |
| InChI |
InChI=1S/C32H30N2O6/c35-31(27-17-9-3-10-18-27)39-23-29(21-25-13-5-1-6-14-25)33(37)34(38)30(22-26-15-7-2-8-16-26)24-40-32(36)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2/b34-33+ |
| InChIKey |
KJCJALMBZUSSHP-JEIPZWNWSA-N |
| Molecular Weight |
538.600 g/mol |
| SMILES |
C(\[N+](=[N+]\(C(COC(=O)C1=CC=CC=C1)CC1=CC=CC=C1)[O-])[O-])(COC(=O)C1=CC=CC=C1)CC1=CC=CC=C1 |
