| SpectraBase Spectrum ID |
3Z08T33dRJL |
| Name |
Ethyl 1,6-dioxa-4-(o-methylphenyl)spiro[4.4]non-3-en-2-one-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.115423675 u |
| Formula |
C17H18O5 |
| InChI |
InChI=1S/C17H18O5/c1-3-20-15(18)13-14(12-8-5-4-7-11(12)2)17(22-16(13)19)9-6-10-21-17/h4-5,7-8H,3,6,9-10H2,1-2H3 |
| InChIKey |
FFRYOHMILUUDQB-UHFFFAOYSA-N |
| SMILES |
C1(=C(C(=O)OC11OCCC1)C(=O)OCC)C1=C(C)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.882517 |
![Ethyl 1,6-dioxa-4-(o-methylphenyl)spiro[4.4]non-3-en-2-one-3-carboxylate](/api/spectrum/3Z08T33dRJL/structure.png?h=300&w=458 "Ethyl 1,6-dioxa-4-(o-methylphenyl)spiro[4.4]non-3-en-2-one-3-carboxylate")
