| SpectraBase Compound ID | C2vjeLcx9ln |
|---|---|
| InChI | InChI=1S/C15H25N3O2S/c1-20-3-2-16-14(21)18-17-13(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,2-9H2,1H3,(H,17,19)(H2,16,18,21)/t10-,11+,12-,15- |
| InChIKey | LBAAZZVZPRUGQV-WUQLGEGHSA-N |
| Mol Weight | 311.44 g/mol |
| Molecular Formula | C15H25N3O2S |
| Exact Mass | 311.166748 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EFE6i9JdyMz |
|---|---|
| Name | 2-(1-Adamantylcarbonyl)-N-(2-methoxyethyl)hydrazinecarbothioamide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.166748229 u |
| Formula | C15H25N3O2S |
| InChI | InChI=1S/C15H25N3O2S/c1-20-3-2-16-14(21)18-17-13(19)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,2-9H2,1H3,(H,17,19)(H2,16,18,21)/t10-,11+,12-,15- |
| InChIKey | LBAAZZVZPRUGQV-WUQLGEGHSA-N |
| Molecular Weight | 311.444 g/mol |
| SMILES | C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(NNC(NCCOC)=S)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.899518 |