| SpectraBase Spectrum ID |
HjjnLPV3N0P |
| Name |
2-Heptyl-4-(4-methoxy-2-methyl-6-oxidanyl-phenyl)carbonyloxy-6-oxidanyl-benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.183503235 u |
| Formula |
C23H28O7 |
| InChI |
InChI=1S/C23H28O7/c1-4-5-6-7-8-9-15-11-17(13-19(25)21(15)22(26)27)30-23(28)20-14(2)10-16(29-3)12-18(20)24/h10-13,24-25H,4-9H2,1-3H3,(H,26,27) |
| InChIKey |
LNAYIVMXSQCRRC-UHFFFAOYSA-N |
| Molecular Weight |
416.470 g/mol |
| SMILES |
C=1(C(OC2=CC(O)=C(C(=C2)CCCCCCC)C(=O)O)=O)C(=CC(=CC1C)OC)O |
