| SpectraBase Spectrum ID |
HJRIqIOTNQ4 |
| Name |
3-(1,3-Benzodioxol-5-ylmethyl)-6-chloro-3,4-dihydro-2H-1,3-benzoxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
303.066221012 u |
| Formula |
C16H14ClNO3 |
| InChI |
InChI=1S/C16H14ClNO3/c17-13-2-4-14-12(6-13)8-18(9-19-14)7-11-1-3-15-16(5-11)21-10-20-15/h1-6H,7-10H2 |
| InChIKey |
DGDLDHDECSJLSI-UHFFFAOYSA-N |
| Molecular Weight |
303.745 g/mol |
| SMILES |
C1=C2C(=CC=C1Cl)OCN(CC1=CC3=C(C=C1)OCO3)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93956 |
