| SpectraBase Spectrum ID |
BivDuGImsDA |
| Name |
1,3,5-tri-o-Benzoyl-2-o-p-nitrobenzoyl-.alpha.-D-arabinose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
611.142760618 u |
| Formula |
C33H25NO11 |
| InChI |
InChI=1S/C33H25NO11/c35-29(21-10-4-1-5-11-21)42-26-20-41-33(45-32(38)23-14-8-3-9-15-23)28(27(26)43-30(36)22-12-6-2-7-13-22)44-31(37)24-16-18-25(19-17-24)34(39)40/h1-19,26-28,33H,20H2/t26-,27+,28-,33-/m1/s1 |
| InChIKey |
HMTSOHVNUKSCKA-LSBIRFPWSA-N |
| Molecular Weight |
611.559 g/mol |
| SMILES |
[C@@]1(CO[C@@]([C@@]([C@]1(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=C(C=C1)N(=O)=O)[H])(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96793 |
