| SpectraBase Spectrum ID |
AX5n9CYJGbn |
| Name |
3-Benzofuranacetic acid, 2,4,5,6,7,7a-hexahydro-7a-methyl-2-oxo-, methyl ester |
| Alternate Name(s) |
4,5-Tetramethylene-3-(methoxycarbonylmethyl)-5-methyldihydrofuran-2-one
methyl (7a-methyl-2-oxo-2,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl)acetate |
| CAS Registry Number |
77613-21-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-12-6-4-3-5-9(12)8(11(14)16-12)7-10(13)15-2/h3-7H2,1-2H3 |
| InChIKey |
LQFRCPGZVUNAMO-UHFFFAOYSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
C=1(C(OC2(C1CCCC2)C)=O)CC(=O)OC |
| SPLASH |
splash10-001i-0910000000-38f68f317cd0c4a914e8 |
| Source of Spectrum |
I-59-299-0 |
| Wiley ID |
1224903 |
