| SpectraBase Compound ID | AUDMqLlZSa6 |
|---|---|
| InChI | InChI=1S/C8H7NS/c10-7-9-8-5-3-1-2-4-6-8/h1-6,8H |
| InChIKey | INUGEZSRMUZSNN-UHFFFAOYSA-N |
| Mol Weight | 149.21 g/mol |
| Molecular Formula | C8H7NS |
| Exact Mass | 149.02992 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HSPfAWiqwjg |
|---|---|
| Name | Cycloheptatrienyl-isothiocyanate |
| CAS Registry Number | 51208-36-7 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7NS |
| InChI | InChI=1S/C8H7NS/c10-7-9-8-5-3-1-2-4-6-8/h1-6,8H |
| InChIKey | INUGEZSRMUZSNN-UHFFFAOYSA-N |
| Instrument Name | Bruker HX-90 |
| Literature Reference | M. Feigel, H. Kessler, Chem. Ber. 111, 2947 (1978). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CH3CN |