SpectraBase Compound ID | Z832Ex2zSz |
---|---|
InChI | InChI=1S/C9H18O3/c1-6-11-8(10)12-7(2)9(3,4)5/h7H,6H2,1-5H3 |
InChIKey | ZZYPHBZAQJIHGH-UHFFFAOYSA-N |
Mol Weight | 174.24 g/mol |
Molecular Formula | C9H18O3 |
Exact Mass | 174.125594 g/mol |
SpectraBase Spectrum ID | 9Dhz37rWDlW |
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Name | 3,3-Dimethylbutan-2-yl ethyl carbonate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 174.125594437 u |
Formula | C9H18O3 |
InChI | InChI=1S/C9H18O3/c1-6-11-8(10)12-7(2)9(3,4)5/h7H,6H2,1-5H3 |
InChIKey | ZZYPHBZAQJIHGH-UHFFFAOYSA-N |
Molecular Weight | 174.240 g/mol |
SMILES | C(=O)(OCC)OC(C(C)(C)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922149 |