| SpectraBase Compound ID | EhFp3K6QyQS |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-21-17(19)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(15)18(20)22-2/h13-16H,3-10H2,1-2H3 |
| InChIKey | LLNXADBLTXNPSW-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | gTmjAF9rF6 |
|---|---|
| Name | 9,10-Phenanthrenedicarboxylic acid, 1,2,3,4,5,6,7,8,8A,9,10,10A-dodecahydro-, dimethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-21-17(19)15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(15)18(20)22-2/h13-16H,3-10H2,1-2H3 |
| InChIKey | LLNXADBLTXNPSW-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C(OC)(=O)C1C(C(OC)=O)C2C(=C3C1CCCC3)CCCC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841302 |