| SpectraBase Spectrum ID |
34cwZvM120Z |
| Name |
2H-Pyran-3-acetic acid, tetrahydro-.alpha.,2,2-trimethyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
200.141244501 u |
| Formula |
C11H20O3 |
| InChI |
InChI=1S/C11H20O3/c1-8(10(12)13-4)9-6-5-7-14-11(9,2)3/h8-9H,5-7H2,1-4H3 |
| InChIKey |
MCQRXKLCKHCJFV-UHFFFAOYSA-N |
| Molecular Weight |
200.278 g/mol |
| SMILES |
C1(C(C(=O)OC)C)C(OCCC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896848 |
