| SpectraBase Spectrum ID |
20iQS207xm9 |
| Name |
4-Bromo-2-[N-(m-ethynylphenyl)formimidoyl]-6-methoxyphenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.005141628 u |
| Formula |
C16H12BrNO2 |
| InChI |
InChI=1S/C16H12BrNO2/c1-3-11-5-4-6-14(7-11)18-10-12-8-13(17)9-15(20-2)16(12)19/h1,4-10,19H,2H3/b18-10+ |
| InChIKey |
MPZLPXOHUIWEFJ-VCHYOVAHSA-N |
| Molecular Weight |
330.181 g/mol |
| SMILES |
OC=1C(=CC(=CC1OC)Br)\C=N\C=1C=C(C=CC1)C#C |
| Spectrum/Structure Validation Score (Raman) |
0.80477 |
![4-bromo-2-[N-(m-ethynylphenyl)formimidoyl]-6-methoxyphenol](/api/spectrum/20iQS207xm9/structure.png?h=300&w=458 "4-bromo-2-[N-(m-ethynylphenyl)formimidoyl]-6-methoxyphenol")
