![4,5,6-Metheno-3ah-cyclopenta[3,4]cyclobuta[1,2-B]thiophene, 3A,4,5,6,6A,6B-hexahydro-6B-benzoyl-, (3A.alpha.,3B.beta.,6A.beta.,6B.alpha.)-](/api/spectrum/KQAmRF6humd/structure.png?h=300&w=458 "4,5,6-Metheno-3ah-cyclopenta[3,4]cyclobuta[1,2-B]thiophene, 3A,4,5,6,6A,6B-hexahydro-6B-benzoyl-, (3A.alpha.,3B.beta.,6A.beta.,6B.alpha.)-")
| SpectraBase Compound ID | If0l8wrnaIz |
|---|---|
| InChI | InChI=1S/C17H14OS/c18-16(8-4-2-1-3-5-8)17-7-6-9(17)19-15-13-10-11(13)12(10)14(15)17/h1-7,9-15H |
| InChIKey | SWTZBGOPBRLPOV-UHFFFAOYSA-N |
| Mol Weight | 266.36 g/mol |
| Molecular Formula | C17H14OS |
| Exact Mass | 266.076536 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KQAmRF6humd |
|---|---|
| Name | 4,5,6-Metheno-3ah-cyclopenta[3,4]cyclobuta[1,2-B]thiophene, 3A,4,5,6,6A,6B-hexahydro-6B-benzoyl-, (3A.alpha.,3B.beta.,6A.beta.,6B.alpha.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.076536244 u |
| Formula | C17H14OS |
| InChI | InChI=1S/C17H14OS/c18-16(8-4-2-1-3-5-8)17-7-6-9(17)19-15-13-10-11(13)12(10)14(15)17/h1-7,9-15H |
| InChIKey | SWTZBGOPBRLPOV-UHFFFAOYSA-N |
| Molecular Weight | 266.358 g/mol |
| SMILES | C12SC3C(C2C2C4C1C24)(C=C3)C(C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.835141 |