SpectraBase Spectrum ID |
4uYv3ALu0Xq |
Name |
2-Naphthalenamine, 6-bromo-1,2,3,4-tetrahydro-N-acetyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
267.025877074 u |
Formula |
C12H14BrNO |
InChI |
InChI=1S/C12H14BrNO/c1-8(15)14-12-5-3-9-6-11(13)4-2-10(9)7-12/h2,4,6,12H,3,5,7H2,1H3,(H,14,15) |
InChIKey |
LSGOUKVOIAQPTJ-UHFFFAOYSA-N |
SMILES |
C1(Br)=CC2=C(C=C1)CC(CC2)NC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932693 |