SpectraBase Compound ID | 1tVYGTtC6PB |
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InChI | InChI=1S/C7H13IO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5H2,1-2H3 |
InChIKey | BABASTDSXZONTL-UHFFFAOYSA-N |
Mol Weight | 256.08 g/mol |
Molecular Formula | C7H13IO2 |
Exact Mass | 255.996025 g/mol |
SpectraBase Spectrum ID | JpLhasqRTLg |
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Name | 4-(2-Iodanylethyl)-2,2-dimethyl-1,3-dioxolane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 255.996024657 u |
Formula | C7H13IO2 |
InChI | InChI=1S/C7H13IO2/c1-7(2)9-5-6(10-7)3-4-8/h6H,3-5H2,1-2H3 |
InChIKey | BABASTDSXZONTL-UHFFFAOYSA-N |
Molecular Weight | 256.083 g/mol |
SMILES | C1(OC(CCI)CO1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981281 |