| SpectraBase Spectrum ID |
8kvsrU1PQNm |
| Name |
Sebacic acid, (1,3-benzodioxol-5-yl)methyl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.219888744 u |
| Formula |
C22H32O6 |
| InChI |
InChI=1S/C22H32O6/c1-17(2)14-25-21(23)9-7-5-3-4-6-8-10-22(24)26-15-18-11-12-19-20(13-18)28-16-27-19/h11-13,17H,3-10,14-16H2,1-2H3 |
| InChIKey |
JIBUTEMOLZBQPK-UHFFFAOYSA-N |
| Molecular Weight |
392.492 g/mol |
| SMILES |
C(CCCCCCC(OCC(C)C)=O)CC(OCC=1C=C2OCOC2=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.881834 |
