| SpectraBase Spectrum ID |
E6KVi64w2vm |
| Name |
Anomalin A, 4me derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.110338294 u |
| Formula |
C18H18O6 |
| InChI |
InChI=1S/C18H18O6/c1-9-15-13(8-14(22-4)18(9)23-5)24-12-7-10(20-2)6-11(21-3)16(12)17(15)19/h6-8H,1-5H3 |
| InChIKey |
NEPSPYJEYPKXFC-UHFFFAOYSA-N |
| Molecular Weight |
330.336 g/mol |
| SMILES |
COC1=C(C)C=2C(=O)C=3C(OC)=CC(OC)=CC3OC2C=C1OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843249 |
