| SpectraBase Spectrum ID |
2sfFhtKLWb2 |
| Name |
Notholaenic acid |
| Alternate Name(s) |
4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-6-oxidanyl-benzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H18O5 |
| InChI |
InChI=1S/C17H18O5/c1-21-13-7-4-11(5-8-13)3-6-12-9-14(22-2)10-15(18)16(12)17(19)20/h4-5,7-10,18H,3,6H2,1-2H3,(H,19,20) |
| InChIKey |
QTSHPXKETKYZMV-UHFFFAOYSA-N |
| Molecular Weight |
302.326 g/mol |
| SMILES |
Oc1c(C(=O)O)c(cc(c1)OC)CCc1ccc(cc1)OC |
| SPLASH |
splash10-00di-0901000000-700331166b1b32dfbb85 |
| Source of Spectrum |
X2-48-297-1 |
| Wiley ID |
1601663 |
