| SpectraBase Spectrum ID |
BOidnm20QUO |
| Name |
(1-Cyclododecylidene-2-oxidanylidene-octan-3-yl) ethanoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.282095081 u |
| Formula |
C22H38O3 |
| InChI |
InChI=1S/C22H38O3/c1-3-4-12-17-22(25-19(2)23)21(24)18-20-15-13-10-8-6-5-7-9-11-14-16-20/h18,22H,3-17H2,1-2H3 |
| InChIKey |
ATBRBEUQTQZOCF-UHFFFAOYSA-N |
| Molecular Weight |
350.543 g/mol |
| SMILES |
C(C(C(OC(=O)C)CCCCC)=O)=C1CCCCCCCCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878976 |
