| SpectraBase Spectrum ID |
AE6CXgsnwuP |
| Name |
Pyrrolo[2,1-B]oxazole, 5-ethylhexahydro-3-phenyl-, [3R-(3.alpha.,5.alpha.,7A.alpha.)]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
217.146664235 u |
| Formula |
C14H19NO |
| InChI |
InChI=1S/C14H19NO/c1-2-12-8-9-14-15(12)13(10-16-14)11-6-4-3-5-7-11/h3-7,12-14H,2,8-10H2,1H3/t12-,13-,14-/m1/s1 |
| InChIKey |
COAOMKLKAPVRDK-MGPQQGTHSA-N |
| Molecular Weight |
217.312 g/mol |
| SMILES |
[C@@]1(N2[C@](OC1)(CC[C@]2(CC)[H])[H])(C1=CC=CC=C1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860008 |
![Pyrrolo[2,1-b]oxazole, 5-ethylhexahydro-3-phenyl-, [3R-(3.alpha.,5.alpha.,7a.alpha.)]-](/api/spectrum/AE6CXgsnwuP/structure.png?h=300&w=458 "Pyrrolo[2,1-b]oxazole, 5-ethylhexahydro-3-phenyl-, [3R-(3.alpha.,5.alpha.,7a.alpha.)]-")
