| SpectraBase Spectrum ID |
AfLA12O43jr |
| Name |
Indole |
| CAS Registry Number |
120-72-9 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
117.057849229 u |
| Formula |
C8H7N |
| GC Column |
J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness) |
| GC Oven Program |
60 °C to 246 °C at 3 °C/min. |
| InChI |
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H |
| InChIKey |
SIKJAQJRHWYJAI-UHFFFAOYSA-N |
| Molecular Weight |
117.151 g/mol |
| Nominal Mass |
117 u |
| Number of Peaks |
70 |
| SMILES |
[nH]1ccc2c1cccc2 |
| SPLASH |
splash10-014i-9700000000-fd10758283ab3d0b15ec |
| Source of Spectrum |
Adams' Essential Oil Components (GC-MS), Version 4 |
| Wiley ID |
RA000708 |
