| SpectraBase Spectrum ID |
2XWqZXU7rSf |
| Name |
(1rs,5sr,7rs)-2-Ethoxycarbonyl-7-phenyl-6-oxa-2-azabicyclo[3.2.0]heptane |
| 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/c1-2-17-14(16)15-9-8-11-12(15)13(18-11)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-,12+,13+/m0/s1 |
| InChIKey |
SPTAUNZTLNPWMH-YNEHKIRRSA-N |
| Molecular Weight |
247.294 g/mol |
| SMILES |
[C@]12(N(CC[C@@]1(O[C@@]2(C1=CC=CC=C1)[H])[H])C(=O)OCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961316 |
![(1rs,5sr,7rs)-2-Ethoxycarbonyl-7-phenyl-6-oxa-2-azabicyclo[3.2.0]heptane](/api/spectrum/2XWqZXU7rSf/structure.png?h=300&w=458 "(1rs,5sr,7rs)-2-Ethoxycarbonyl-7-phenyl-6-oxa-2-azabicyclo[3.2.0]heptane")
