SpectraBase Spectrum ID |
DkCo76TQ8rA |
Name |
Indole |
CAS Registry Number |
120-72-9 |
Classification |
Designer drug precursor |
Comments |
Spectrum verified by crosschecking against external libraries (four reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
117.057849229 u |
Formula |
C8H7N |
InChI |
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
InChIKey |
SIKJAQJRHWYJAI-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
117.151 g/mol |
Nominal Mass |
117 u |
Quality |
986 |
Retention Index |
1276 |
SMILES |
C=12C(C=CN2)=CC=CC1 |
SPLASH |
splash10-014i-8900000000-5fea0a379b44de740bc0 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
2,3-Benzopyrrole
1H-Indole |
Technique |
GC/MS |
Wiley ID |
DD2024_008232 |