| SpectraBase Spectrum ID |
4U6RDC7PlSk |
| Name |
Acetic acid 7-hydroxy-2,4-dimethyl-2,3-dihydro-1,9-dioxa-cyclopenta[B]naphthalen-9A-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.099773610 u |
| Formula |
C15H16O5 |
| InChI |
InChI=1S/C15H16O5/c1-8-6-13-9(2)12-5-4-11(17)7-14(12)20-15(13,18-8)19-10(3)16/h4-5,7-8,17H,6H2,1-3H3 |
| InChIKey |
SHWHZZYTBNUSKN-UHFFFAOYSA-N |
| Molecular Weight |
276.288 g/mol |
| SMILES |
C12(C(=C(C)C=3C(O2)=CC(O)=CC3)CC(O1)C)OC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942126 |
![Acetic acid 7-hydroxy-2,4-dimethyl-2,3-dihydro-1,9-dioxa-cyclopenta[b]naphthalen-9a-yl ester](/api/spectrum/4U6RDC7PlSk/structure.png?h=300&w=458 "Acetic acid 7-hydroxy-2,4-dimethyl-2,3-dihydro-1,9-dioxa-cyclopenta[b]naphthalen-9a-yl ester")
