| SpectraBase Spectrum ID |
9HkSTBMncpZ |
| Name |
tma-2-m (Deamino-ho-) ac P708 |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
268.131073739 u |
| Formula |
C14H20O5 |
| InChI |
InChI=1S/C14H20O5/c1-9(19-10(2)15)6-11-7-13(17-4)14(18-5)8-12(11)16-3/h7-9H,6H2,1-5H3 |
| InChIKey |
IHROKENJNFWKGE-UHFFFAOYSA-N |
| Molecular Weight |
268.309 g/mol |
| SMILES |
C=1(C=C(C(OC)=CC1OC)CC(OC(C)=O)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893555 |
