![Cyclohepteno[b]indene](/api/spectrum/FXYhrUI9dfN/structure.png?h=300&w=458 "Cyclohepteno[b]indene")
| SpectraBase Compound ID | 4PAeY5pfbEw |
|---|---|
| InChI | InChI=1S/C14H16/c1-2-6-11-10-12-7-4-5-9-14(12)13(11)8-3-1/h4-5,7,9H,1-3,6,8,10H2 |
| InChIKey | YAFANLGPOKCWJO-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C14H16 |
| Exact Mass | 184.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FXYhrUI9dfN |
|---|---|
| Name | Cyclohepteno[B]indene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.125200515 u |
| Formula | C14H16 |
| InChI | InChI=1S/C14H16/c1-2-6-11-10-12-7-4-5-9-14(12)13(11)8-3-1/h4-5,7,9H,1-3,6,8,10H2 |
| InChIKey | YAFANLGPOKCWJO-UHFFFAOYSA-N |
| Molecular Weight | 184.282 g/mol |
| SMILES | C12=C(CC=3C2=CC=CC3)CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960952 |