SpectraBase Compound ID | FhlXv79TTNZ |
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InChI | InChI=1S/C10H12O3/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-5,10H,6-7H2,1H3 |
InChIKey | IQEKCEZVHBSOSQ-UHFFFAOYSA-N |
Mol Weight | 180.2 g/mol |
Molecular Formula | C10H12O3 |
Exact Mass | 180.078644 g/mol |
SpectraBase Spectrum ID | Ihpt5ElEx1B |
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Name | 2-(4-Methoxyphenyl)-1,3-dioxolane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.078644243 u |
Formula | C10H12O3 |
InChI | InChI=1S/C10H12O3/c1-11-9-4-2-8(3-5-9)10-12-6-7-13-10/h2-5,10H,6-7H2,1H3 |
InChIKey | IQEKCEZVHBSOSQ-UHFFFAOYSA-N |
Molecular Weight | 180.203 g/mol |
SMILES | C1(OCCO1)C1=CC=C(C=C1)OC |
Spectrum/Structure Validation Score (Raman) | 0.98966 |