| SpectraBase Spectrum ID |
2txdQYTQo6 |
| Name |
3-Benzofuranacetic acid, 2,3-dihydro-5,6-dimethyl-, ethyl ester |
| CAS Registry Number |
111726-57-9 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H18O3 |
| InChI |
InChI=1S/C14H18O3/c1-4-10(14(15)16)12-7-17-13-6-9(3)8(2)5-11(12)13/h5-6,10,12H,4,7H2,1-3H3,(H,15,16) |
| InChIKey |
PCMDYNYVTMKAMP-UHFFFAOYSA-N |
| Molecular Weight |
234.295 g/mol |
| SMILES |
OC(C(C1c2c(OC1)cc(c(c2)C)C)CC)=O |
| SPLASH |
splash10-0002-0940000000-6a0e6ea3180cc3e3b813 |
| Source of Spectrum |
I-65-2022-11 |
| Synonyms |
2-(5,6-dimethyl-2,3-dihydro-1-benzofuran-3-yl)butanoic acid
3-((ethyl)carboxylmethyl)-5,6-dimethyl-2-hydrobenzofuran |
| Wiley ID |
1236133 |
