| SpectraBase Spectrum ID |
DLpTLqg3jpU |
| Name |
Longistyline C, ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.172544630 u |
| Formula |
C22H24O3 |
| InChI |
InChI=1S/C22H24O3/c1-16(2)10-13-21-19(12-11-18-8-6-5-7-9-18)14-20(25-17(3)23)15-22(21)24-4/h5-12,14-15H,13H2,1-4H3/b12-11+ |
| InChIKey |
CLIHCDJVYVWTIO-VAWYXSNFSA-N |
| Molecular Weight |
336.431 g/mol |
| SMILES |
C(C)(=O)OC1=CC(=C(C(=C1)\C=C\C1=CC=CC=C1)CC=C(C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943792 |
