| SpectraBase Spectrum ID |
CASQNA3Jdqw |
| Name |
(+-)-trans-2-benzyloxycarbonyliminomethyl-azeto[1,2D]dibenzo[B,F]oxazepin-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.142307128 u |
| Formula |
C24H20N2O4 |
| InChI |
InChI=1S/C24H20N2O4/c27-23-18(14-25-24(28)29-15-16-8-2-1-3-9-16)22-17-10-4-6-12-20(17)30-21-13-7-5-11-19(21)26(22)23/h1-13,18,22H,14-15H2,(H,25,28)/t18?,22-/m0/s1 |
| InChIKey |
LLKVMKJFACQGJQ-YSYXNDDBSA-N |
| Molecular Weight |
400.434 g/mol |
| SMILES |
C1(N2[C@](C1CNC(=O)OCC1=CC=CC=C1)(C1=C(C=CC=C1)OC1=C2C=CC=C1)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948712 |
![(+-)-trans-2-Benzyloxycarbonyliminomethyl-azeto[1,2d]dibenzo[b,f]oxazepin-1-one](/api/spectrum/CASQNA3Jdqw/structure.png?h=300&w=458 "(+-)-trans-2-Benzyloxycarbonyliminomethyl-azeto[1,2d]dibenzo[b,f]oxazepin-1-one")
