| SpectraBase Spectrum ID |
BEruLGJYXDX |
| Name |
N-Demethyl-quettamine |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H19NO3 |
| InChI |
InChI=1S/C18H19NO3/c1-19-10-9-11-5-8-14(21-2)18-15(11)16(19)17(22-18)12-3-6-13(20)7-4-12/h3-8,16-17,20H,9-10H2,1-2H3/t16-,17+/m0/s1 |
| InChIKey |
FQDIDOAGOKZQTC-DLBZAZTESA-N |
| Molecular Weight |
297.354 g/mol |
| SMILES |
Oc1ccc([C@@]2([C@@]3(c4c(O2)c(OC)ccc4CCN3C)[H])[H])cc1 |
| SPLASH |
splash10-00dj-0980000000-b473f09f37c99a1c9109 |
| Source of Spectrum |
X2-47-769-51 |
| Wiley ID |
1601553 |
