| SpectraBase Spectrum ID |
6655UqWJ7Hd |
| Name |
2.alpha.-[2-Trans-(4'-methoxyphenyl)ethenyl]-4,4,7.alpha.-trimethyl-trans-octahydro-1,3-benzoxazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.219829176 u |
| Formula |
C20H29NO2 |
| InChI |
InChI=1S/C20H29NO2/c1-14-5-11-17-18(13-14)23-19(21-20(17,2)3)12-8-15-6-9-16(22-4)10-7-15/h6-10,12,14,17-19,21H,5,11,13H2,1-4H3/b12-8+/t14-,17+,18+,19+/m0/s1 |
| InChIKey |
RTEHKEGFFUOCTG-YWQUBUNQSA-N |
| Molecular Weight |
315.457 g/mol |
| SMILES |
C1(N[C@@](\C=C\C2=CC=C(C=C2)OC)(O[C@]2([C@]1(CC[C@](C)(C2)[H])[H])[H])[H])(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968241 |
![2.alpha.-[2-Trans-(4'-methoxyphenyl)ethenyl]-4,4,7.alpha.-trimethyl-trans-octahydro-1,3-benzoxazine](/api/spectrum/6655UqWJ7Hd/structure.png?h=300&w=458 "2.alpha.-[2-Trans-(4'-methoxyphenyl)ethenyl]-4,4,7.alpha.-trimethyl-trans-octahydro-1,3-benzoxazine")
