| SpectraBase Spectrum ID |
E4tC7AqfuMN |
| Name |
Bicyclo[2.2.1]hept-2-ene, 5-bromo-6-[(2,4-dinitrophenyl)thio]-, (5R,6R)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.962291012 u |
| Formula |
C13H11BrN2O4S |
| InChI |
InChI=1S/C13H11BrN2O4S/c14-12-7-1-2-8(5-7)13(12)21-11-4-3-9(15(17)18)6-10(11)16(19)20/h1-4,6-8,12-13H,5H2/t7-,8+,12-,13-/m0/s1 |
| InChIKey |
LEOAJPQIDIAARJ-XXHBBNRNSA-N |
| Molecular Weight |
371.205 g/mol |
| SMILES |
[C@]1([C@@]2(C[C@]([C@@]1(SC1=C(C=C(C=C1)N(=O)=O)N(=O)=O)[H])(C=C2)[H])[H])(Br)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813126 |
![Bicyclo[2.2.1]hept-2-ene, 5-bromo-6-[(2,4-dinitrophenyl)thio]-, (5R,6R)-](/api/spectrum/E4tC7AqfuMN/structure.png?h=300&w=458 "Bicyclo[2.2.1]hept-2-ene, 5-bromo-6-[(2,4-dinitrophenyl)thio]-, (5R,6R)-")
