| SpectraBase Spectrum ID |
GAW3oeKfCoq |
| Name |
Bavachinin, ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.162373868 u |
| Formula |
C23H24O5 |
| InChI |
InChI=1S/C23H24O5/c1-14(2)5-6-17-11-19-20(25)12-22(28-23(19)13-21(17)26-4)16-7-9-18(10-8-16)27-15(3)24/h5,7-11,13,22H,6,12H2,1-4H3/t22-/m0/s1 |
| InChIKey |
MEVNIJPFUHFUKV-QFIPXVFZSA-N |
| Molecular Weight |
380.440 g/mol |
| SMILES |
[C@@]1(CC(=O)C2=CC(=C(C=C2O1)OC)CC=C(C)C)(C1=CC=C(C=C1)OC(=O)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957242 |
