SpectraBase Compound ID | 1JnwLmVy4fA |
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InChI | InChI=1S/C10H11ClO/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2-6,8H,7H2,1H3/b6-3+ |
InChIKey | VYWUABACHYXCLC-ZZXKWVIFSA-N |
Mol Weight | 182.65 g/mol |
Molecular Formula | C10H11ClO |
Exact Mass | 182.049843 g/mol |
SpectraBase Spectrum ID | 1H6tONHZXRt |
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Name | Benzene, 1-[(3-chloro-2-propenyl)oxy]-3-methyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 182.049842673 u |
Formula | C10H11ClO |
InChI | InChI=1S/C10H11ClO/c1-9-4-2-5-10(8-9)12-7-3-6-11/h2-6,8H,7H2,1H3/b6-3+ |
InChIKey | VYWUABACHYXCLC-ZZXKWVIFSA-N |
Molecular Weight | 182.650 g/mol |
SMILES | C(OC1=CC(C)=CC=C1)\C=C\Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.909966 |