| SpectraBase Spectrum ID |
GgBDSJQOIQc |
| Name |
3H,7H-Pyrrolo[3,2,1-ij][3,1]benzoxazin-3-one, 5,6,6A,8,9,9B-hexahydro-1-phenyl-, cis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.125928789 u |
| Formula |
C16H17NO2 |
| InChI |
InChI=1S/C16H17NO2/c18-16-17-10-9-11-7-4-8-13(14(11)17)15(19-16)12-5-2-1-3-6-12/h1-3,5-6,11,14H,4,7-10H2/t11-,14+/m0/s1 |
| InChIKey |
SMIMRGCVKBDOFE-SMDDNHRTSA-N |
| Molecular Weight |
255.317 g/mol |
| SMILES |
C12=C(OC(N3[C@@]2([C@@](CC3)([H])CCC1)[H])=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864457 |
![3H,7H-Pyrrolo[3,2,1-ij][3,1]benzoxazin-3-one, 5,6,6a,8,9,9b-hexahydro-1-phenyl-, cis-](/api/spectrum/GgBDSJQOIQc/structure.png?h=300&w=458 "3H,7H-Pyrrolo[3,2,1-ij][3,1]benzoxazin-3-one, 5,6,6a,8,9,9b-hexahydro-1-phenyl-, cis-")
