SpectraBase Compound ID | hlGegyGU5Y |
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InChI | InChI=1S/C9H10Cl2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9H,1H3 |
InChIKey | HLDAGOGGDCMPPA-UHFFFAOYSA-N |
Mol Weight | 189.08 g/mol |
Molecular Formula | C9H10Cl2 |
Exact Mass | 188.015956 g/mol |
SpectraBase Spectrum ID | 4kwKUTz4A9 |
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Name | Benzene, (1,2-dichloropropyl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 188.015955722 u |
Formula | C9H10Cl2 |
InChI | InChI=1S/C9H10Cl2/c1-7(10)9(11)8-5-3-2-4-6-8/h2-7,9H,1H3 |
InChIKey | HLDAGOGGDCMPPA-UHFFFAOYSA-N |
Molecular Weight | 189.085 g/mol |
SMILES | C1=CC=CC=C1C(C(C)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966482 |