SpectraBase Spectrum ID |
64btXd9Umb2 |
Name |
3,3'-Ethylene-bis[3'',4''-dihydro-2H-(1,3)-6''-methylbenzoxazine] |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
324.183778019 u |
Formula |
C20H24N2O2 |
InChI |
InChI=1S/C20H24N2O2/c1-15-3-5-19-17(9-15)11-21(13-23-19)7-8-22-12-18-10-16(2)4-6-20(18)24-14-22/h3-6,9-10H,7-8,11-14H2,1-2H3 |
InChIKey |
AATFCJDKFGBSDV-UHFFFAOYSA-N |
Molecular Weight |
324.424 g/mol |
SMILES |
C12=C(OCN(C2)CCN2CC=3C=C(C)C=CC3OC2)C=CC(=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959315 |