| SpectraBase Spectrum ID |
74GC2zBbTuH |
| Name |
2-Chloro-4-(4,4-diethyl-1,4-dihydro-2H-3,1-benzoxazin-2-yl)-6-methoxyphenol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.128821269 u |
| Formula |
C19H22ClNO3 |
| InChI |
InChI=1S/C19H22ClNO3/c1-4-19(5-2)13-8-6-7-9-15(13)21-18(24-19)12-10-14(20)17(22)16(11-12)23-3/h6-11,18,21-22H,4-5H2,1-3H3 |
| InChIKey |
AJGNZSDGAUOAGX-UHFFFAOYSA-N |
| Molecular Weight |
347.842 g/mol |
| SMILES |
C1(NC=2C=CC=CC2C(O1)(CC)CC)C1=CC(Cl)=C(C(=C1)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.947013 |
