| SpectraBase Spectrum ID |
IrcMLK6SRmr |
| Name |
Isomucronulatol dimethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.146723803 u |
| Formula |
C19H22O5 |
| InChI |
InChI=1S/C19H22O5/c1-20-14-6-5-12-9-13(11-24-17(12)10-14)15-7-8-16(21-2)19(23-4)18(15)22-3/h5-8,10,13H,9,11H2,1-4H3/t13-/m0/s1 |
| InChIKey |
AMLAGXGXHMFDOU-ZDUSSCGKSA-N |
| Molecular Weight |
330.380 g/mol |
| SMILES |
C1(=CC=C2C(=C1)OC[C@](C2)(C1=CC=C(C(=C1OC)OC)OC)[H])OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9525 |
