| SpectraBase Compound ID | 4ENae0hkXNa |
|---|---|
| InChI | InChI=1S/C7H7NO2/c9-7(10)2-1-6-3-4-8-5-6/h1-5,8H,(H,9,10)/b2-1+ |
| InChIKey | GDACOBAFWPGBOL-OWOJBTEDSA-N |
| Mol Weight | 137.14 g/mol |
| Molecular Formula | C7H7NO2 |
| Exact Mass | 137.047678 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8OddL2g7JBC |
|---|---|
| Name | 1H-INDOLE, 1-METHYL-3-(2-NITRO-2-HEPTENYL)-, (E)- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H20N2O2 |
| InChI | InChI=1S/C7H7NO2/c9-7(10)2-1-6-3-4-8-5-6/h1-5,8H,(H,9,10)/b2-1+ |
| InChIKey | GDACOBAFWPGBOL-OWOJBTEDSA-N |
| Molecular Weight | 137.0475 |
| SMILES | OC(\C=C\c1c[nH]cc1)=O |
| SPLASH | splash10-001l-2910000000-a53012f5f298f11b8b6b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |