| SpectraBase Compound ID | 4ZCj1HcEABX |
|---|---|
| InChI | InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10) |
| InChIKey | KFNRJXCQEJIBER-UHFFFAOYSA-N |
| Mol Weight | 139.15 g/mol |
| Molecular Formula | C7H9NO2 |
| Exact Mass | 139.063329 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | peFvAN9Bcc |
|---|---|
| Name | GABACULIN |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H9NO2 |
| InChI | InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10) |
| InChIKey | KFNRJXCQEJIBER-UHFFFAOYSA-N |
| Molecular Weight | 139.0631 |
| SMILES | [NH3+]C1C=CC=C(C([O-])=O)C1 |
| SPLASH | splash10-0006-9200000000-66bbb33d30ffb0ff7da6 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |