| SpectraBase Spectrum ID |
AAoeScvnJC6 |
| Name |
11,12-Dimethoxy-carnosic-acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.230059506 u |
| Formula |
C22H32O4 |
| InChI |
InChI=1S/C22H32O4/c1-13(2)15-12-14-8-9-16-21(3,4)10-7-11-22(16,20(23)24)17(14)19(26-6)18(15)25-5/h12-13,16H,7-11H2,1-6H3,(H,23,24)/t16-,22+/m0/s1 |
| InChIKey |
IUCGKJAPGJRLMI-KSFYIVLOSA-N |
| Molecular Weight |
360.494 g/mol |
| SMILES |
C(=O)([C@@]12C=3C(=C(OC)C(=CC3CC[C@]1(C(C)(C)CCC2)[H])C(C)C)OC)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.823334 |
