| SpectraBase Spectrum ID |
KScx5tRulWD |
| Name |
2-Bromo-1,3,4-trihydroxy-1,2,3,4-tetrahydrobenzo[A]pyrene, (1R,2R,3S,4S-) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.020457340 u |
| Formula |
C20H15BrO3 |
| InChI |
InChI=1S/C20H15BrO3/c21-17-19(23)16-12-7-6-10-3-1-2-9-4-5-11(15(12)14(9)10)8-13(16)18(22)20(17)24/h1-8,17-20,22-24H |
| InChIKey |
HHKCBBUWRNMMIZ-UHFFFAOYSA-N |
| Molecular Weight |
383.241 g/mol |
| SMILES |
C1=2C3=CC=C4C2C(=C2C(=C4)C(C(C(C2O)Br)O)O)C=CC1=CC=C3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.870192 |
![2-Bromo-1,3,4-trihydroxy-1,2,3,4-tetrahydrobenzo[A]pyrene, (1R,2R,3S,4S-)](/api/spectrum/KScx5tRulWD/structure.png?h=300&w=458 "2-Bromo-1,3,4-trihydroxy-1,2,3,4-tetrahydrobenzo[A]pyrene, (1R,2R,3S,4S-)")
