| SpectraBase Compound ID | 5x8WML1RBuH |
|---|---|
| InChI | InChI=1S/C16H11ClO2/c1-19-16(18)15-8-10-4-2-3-5-12(10)13-7-6-11(17)9-14(13)15/h2-9H,1H3 |
| InChIKey | JRYUASHIMHGNPZ-UHFFFAOYSA-N |
| Mol Weight | 270.71 g/mol |
| Molecular Formula | C16H11ClO2 |
| Exact Mass | 270.044757 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I1ZgH009Tj8 |
|---|---|
| Name | Methyl 7-chlorophenanthrene-9-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.044757292 u |
| Formula | C16H11ClO2 |
| InChI | InChI=1S/C16H11ClO2/c1-19-16(18)15-8-10-4-2-3-5-12(10)13-7-6-11(17)9-14(13)15/h2-9H,1H3 |
| InChIKey | JRYUASHIMHGNPZ-UHFFFAOYSA-N |
| SMILES | C=1C=2C(C=CC1)=C1C(C=C(C=C1)Cl)=C(C(OC)=O)C2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831231 |