| SpectraBase Compound ID | 47LHIyyNJEf |
|---|---|
| InChI | InChI=1S/C13H18/c1-2-10(1)13-11-4-8-3-9(6-11)7-12(13)5-8/h8-9,11-12H,1-7H2 |
| InChIKey | NXMSUFWKMGXIFD-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3eSAKrRCF1J |
|---|---|
| Name | Adamantane, cyclopropylidene- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-2-10(1)13-11-4-8-3-9(6-11)7-12(13)5-8/h8-9,11-12H,1-7H2 |
| InChIKey | NXMSUFWKMGXIFD-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1C2CC3C(C1CC(C2)C3)=C1CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951359 |