| SpectraBase Spectrum ID |
5rst7mT59ny |
| Name |
(m,1''S)-1-(2'-Hydroxy-4',6'-dimethylphenyl)-2-naphthoic acid 1''-phenylethylamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
395.188529047 u |
| Formula |
C27H25NO2 |
| InChI |
InChI=1S/C27H25NO2/c1-17-15-18(2)25(24(29)16-17)26-22-12-8-7-11-21(22)13-14-23(26)27(30)28-19(3)20-9-5-4-6-10-20/h4-16,19,29H,1-3H3,(H,28,30)/t19-/m0/s1 |
| InChIKey |
PTRJINOIXTWIIL-IBGZPJMESA-N |
| Molecular Weight |
395.502 g/mol |
| SMILES |
C1(C=2C(=CC(=CC2C)C)O)=C(C(N[C@](C=2C=CC=CC2)(C)[H])=O)C=CC=2C1=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948336 |
