| SpectraBase Spectrum ID |
4NTNuklhZMB |
| Name |
(E)-3-(5-Bromanyl-2-oxidanyl-phenyl)-1-(1-oxidanylnaphthalen-2-yl)prop-2-en-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.004807276 u |
| Formula |
C19H13BrO3 |
| InChI |
InChI=1S/C19H13BrO3/c20-14-7-10-17(21)13(11-14)6-9-18(22)16-8-5-12-3-1-2-4-15(12)19(16)23/h1-11,21,23H/b9-6+ |
| InChIKey |
BHXYZAKEWZVQNJ-RMKNXTFCSA-N |
| Molecular Weight |
369.214 g/mol |
| SMILES |
C=1(C(=C2C=CC=CC2=CC1)O)C(\C=C\C=1C(=CC=C(C1)Br)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939764 |
