CAS Registry Number: 109921-55-3

Name:

1H-​Indole-​3-​ethanamine, 5-​methoxy-​N-​(1-​methylethyl)​-
5-​Methoxy-​N-​isopropyltryptamine 

Chemical Formula: C14H20N2O
Exact Mass: 232.16
Molecular Weight: 232.32
m/z: 232.16 (100.0%), 233.16 (15.4%), 234.16 (1.4%)
Elemental Analysis: C, 72.38; H, 8.68; N, 12.06; O, 6.89

InChI: InChI=1S/C14H20N2O/c1-10(2)15-7-6-11-9-16-14-5-4-12(17-3)8-13(11)14/h4-5,8-10,15-16H,6-7H2,1-3H3
InChIKey: QQZJNZJNPDORBO-UHFFFAOYSA-N
Canonical SMILES : CC(C)NCCC1=CNC2=C1C=C(C=C2)OC

Specification

98%

Journal of Molecular Modeling (2012), 18(3), 1073-1085. 

Journal of Forensic Sciences (2011), 56(4), 1044-1048.