| SpectraBase Spectrum ID |
AW1vpmhUSig |
| Name |
4-Isobenzofurancarboxylic acid, 1,3,6,7-tetrahydro-3-oxo-, methyl ester |
| Alternate Name(s) |
methyl 3-oxo-1,3,6,7-tetrahydro-2-benzofuran-4-carboxylate
Methyl 9-oxo-8-oxabicyclo[4.3.0]nona-1(6),2-diene-2-carboxylate |
| CAS Registry Number |
103723-33-7 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C10H10O4 |
| InChI |
InChI=1S/C10H10O4/c1-13-9(11)7-4-2-3-6-5-14-10(12)8(6)7/h4H,2-3,5H2,1H3 |
| InChIKey |
NPSGNYFSEQAMQO-UHFFFAOYSA-N |
| Molecular Weight |
194.186 g/mol |
| SMILES |
C1=2C(C(=O)OC)=CCCC2COC1=O |
| SPLASH |
splash10-014i-0900000000-2d827bb95691f04466ee |
| Source of Spectrum |
KC-1989-994-49 |
| Wiley ID |
1190421 |
