| SpectraBase Compound ID | 3Jd83D6K3Hc |
|---|---|
| InChI | InChI=1S/C15H12O3S/c1-2-8-19-12-7-6-11-13-9(12)4-3-5-10(13)14(16)18-15(11)17/h3-7H,2,8H2,1H3 |
| InChIKey | MPIOOAJULZOOBA-UHFFFAOYSA-N |
| Mol Weight | 272.32 g/mol |
| Molecular Formula | C15H12O3S |
| Exact Mass | 272.050715 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 7mt55sKS1L0 |
|---|---|
| Name | 4-(Propylthio)naphthalic anhydride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.050715417 u |
| Formula | C15H12O3S |
| InChI | InChI=1S/C15H12O3S/c1-2-8-19-12-7-6-11-13-9(12)4-3-5-10(13)14(16)18-15(11)17/h3-7H,2,8H2,1H3 |
| InChIKey | MPIOOAJULZOOBA-UHFFFAOYSA-N |
| SMILES | C=12C=CC(=C3C=CC=C(C(OC2=O)=O)C13)SCCC |
| Spectrum/Structure Validation Score (Raman) | 0.926615 |