| SpectraBase Spectrum ID |
LWbZ0lN7j3g |
| Name |
6-(1-Methyltridecyl)-3-methylcaprolactone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.302830526 u |
| Formula |
C21H40O2 |
| InChI |
InChI=1S/C21H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-19(3)20-16-15-18(2)17-21(22)23-20/h18-20H,4-17H2,1-3H3/t18-,19?,20?/m0/s1 |
| InChIKey |
CNZARHKAFFPIKH-HDYDNRTBSA-N |
| Molecular Weight |
324.549 g/mol |
| SMILES |
C1(OC(CC[C@@](C1)(C)[H])C(CCCCCCCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938636 |
