SpectraBase Compound ID | 4vS6eAK0Uq6 |
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InChI | InChI=1S/C10H19ClO/c1-5-6-7-9(12-4)10(11)8(2)3/h9-10H,2,5-7H2,1,3-4H3 |
InChIKey | ZGVARBJHFUAWRR-UHFFFAOYSA-N |
Mol Weight | 190.71 g/mol |
Molecular Formula | C10H19ClO |
Exact Mass | 190.112443 g/mol |
SpectraBase Spectrum ID | JtaHVhjj48l |
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Name | 3-Chloro-4-methoxy-2-methyl-1-octene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 190.112442931 u |
Formula | C10H19ClO |
InChI | InChI=1S/C10H19ClO/c1-5-6-7-9(12-4)10(11)8(2)3/h9-10H,2,5-7H2,1,3-4H3 |
InChIKey | ZGVARBJHFUAWRR-UHFFFAOYSA-N |
Molecular Weight | 190.714 g/mol |
SMILES | C=C(C(C(CCCC)OC)Cl)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915871 |