| SpectraBase Spectrum ID |
BHDtO7JD7gb |
| Name |
Tert-butyl 1,5-benzoxazepine-5(4H)-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.120843408 u |
| Formula |
C14H17NO3 |
| InChI |
InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-9-6-10-17-12-8-5-4-7-11(12)15/h4-8,10H,9H2,1-3H3 |
| InChIKey |
HCQFGLPDFXGCDD-UHFFFAOYSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
C(N1C=2C(OC=CC1)=CC=CC2)(OC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821368 |
