SpectraBase Spectrum ID |
LWLvk5jCsg0 |
Name |
Acetamide, N-[7-(2-bromobenzoyl)-2,3-dihydrobenzo[1,4]dioxin-6-yl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
375.010620931 u |
Formula |
C17H14BrNO4 |
InChI |
InChI=1S/C17H14BrNO4/c1-10(20)19-14-9-16-15(22-6-7-23-16)8-12(14)17(21)11-4-2-3-5-13(11)18/h2-5,8-9H,6-7H2,1H3,(H,19,20) |
InChIKey |
BRLKESIWFJWIOL-UHFFFAOYSA-N |
Molecular Weight |
376.206 g/mol |
SMILES |
C1(C(C2=C(Br)C=CC=C2)=O)=C(C=C2C(=C1)OCCO2)NC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922399 |