SpectraBase Compound ID | 6Nb0hwmasrp |
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InChI | InChI=1S/C14H20O/c1-13(2,3)9-7-11-12(15-11)8-10-14(4,5)6/h11-12H,1-6H3 |
InChIKey | LUVCXGFOGSMGKM-UHFFFAOYSA-N |
Mol Weight | 204.31 g/mol |
Molecular Formula | C14H20O |
Exact Mass | 204.151415 g/mol |
SpectraBase Spectrum ID | APNBt5WiY9X |
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Name | 5,6-Epoxy-2,2,9,9-tetramethyldeca-3,7-diyne |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 204.151415263 u |
Formula | C14H20O |
InChI | InChI=1S/C14H20O/c1-13(2,3)9-7-11-12(15-11)8-10-14(4,5)6/h11-12H,1-6H3 |
InChIKey | LUVCXGFOGSMGKM-UHFFFAOYSA-N |
Molecular Weight | 204.313 g/mol |
SMILES | C1(OC1C#CC(C)(C)C)C#CC(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9762 |