![N-Acryloyl-2.alpha.-[2-trans-(4'-methoxyphenyl)ethenyl]-4,4,7-trimethyl-trans-octahydro-1,3-benzoxazine](/api/spectrum/IaswMVIgR8X/structure.png?h=300&w=458 "N-Acryloyl-2.alpha.-[2-trans-(4'-methoxyphenyl)ethenyl]-4,4,7-trimethyl-trans-octahydro-1,3-benzoxazine")
| SpectraBase Compound ID | KhetzGg7pTh |
|---|---|
| InChI | InChI=1S/C23H31NO3/c1-6-21(25)24-22(14-10-17-8-11-18(26-5)12-9-17)27-20-15-16(2)7-13-19(20)23(24,3)4/h6,8-12,14,16,19-20,22H,1,7,13,15H2,2-5H3/b14-10+/t16?,19-,20-,22-/m1/s1 |
| InChIKey | OOUJUZCQSKBFKV-LRWALKGWSA-N |
| Mol Weight | 369.51 g/mol |
| Molecular Formula | C23H31NO3 |
| Exact Mass | 369.230394 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IaswMVIgR8X |
|---|---|
| Name | N-Acryloyl-2.alpha.-[2-trans-(4'-methoxyphenyl)ethenyl]-4,4,7-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 | 369.230393859 u |
| Formula | C23H31NO3 |
| InChI | InChI=1S/C23H31NO3/c1-6-21(25)24-22(14-10-17-8-11-18(26-5)12-9-17)27-20-15-16(2)7-13-19(20)23(24,3)4/h6,8-12,14,16,19-20,22H,1,7,13,15H2,2-5H3/b14-10+/t16?,19-,20-,22-/m1/s1 |
| InChIKey | OOUJUZCQSKBFKV-LRWALKGWSA-N |
| Molecular Weight | 369.505 g/mol |
| SMILES | C1(N([C@](O[C@@]2(CC(CC[C@@]12[H])C)[H])(\C=C\C=1C=CC(=CC1)OC)[H])C(C=C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952808 |