| SpectraBase Spectrum ID |
InNG4AQh2N5 |
| Name |
3-(3-Bromopropyloxy)-4-chloro-7-[(phenylacetyl)amino]-1H-2-benzopyran-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
449.002948727 u |
| Formula |
C20H17BrClNO4 |
| InChI |
InChI=1S/C20H17BrClNO4/c21-9-4-10-26-20-18(22)16-12-14(7-8-15(16)19(25)27-20)23-17(24)11-13-5-2-1-3-6-13/h1-3,5-8,12H,4,9-11H2,(H,23,24) |
| InChIKey |
DXHSGCAREVZGLP-UHFFFAOYSA-N |
| Molecular Weight |
450.716 g/mol |
| SMILES |
C1=CC=C(C=C1)CC(=O)NC1=CC=C2C(=C1)C(=C(OCCCBr)OC2=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82497 |
![3-(3-Bromopropyloxy)-4-chloro-7-[(phenylacetyl)amino]-1H-2-benzopyran-1-one](/api/spectrum/InNG4AQh2N5/structure.png?h=300&w=458 "3-(3-Bromopropyloxy)-4-chloro-7-[(phenylacetyl)amino]-1H-2-benzopyran-1-one")
