| SpectraBase Spectrum ID |
9DySQOFrPGI |
| Name |
5-Chloro-4-(methylamino)-o-anisic acid, tropan-3-yl ester, maleate(1:1)(salt) |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
454.150678910 u |
| Formula |
C21H27ClN2O7 |
| InChI |
InChI=1S/C17H23ClN2O3.C4H4O4/c1-19-15-9-16(22-3)13(8-14(15)18)17(21)23-12-6-10-4-5-11(7-12)20(10)2;5-3(6)1-2-4(7)8/h8-12,19H,4-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey |
OLDLYBGURRCMCS-BTJKTKAUSA-N |
| Molecular Weight |
454.907 g/mol |
| SMILES |
OC(\C=C/C(=O)O)=O.N(C)C1=CC(OC)=C(C(=O)OC2CC3CCC(C2)N3C)C=C1Cl |
