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3'-Tert-butyl-6,6'-diisopropylspiro[dioxalane-2,1'-cyclohexane]

View entire compound with spectra: 1 FTIR

3'-Tert-butyl-6,6'-diisopropylspiro[dioxalane-2,1'-cyclohexane]
SpectraBase Compound ID A3INQwTDgtl
InChI InChI=1S/C19H36O2/c1-13(2)16-9-8-15(18(5,6)7)12-19(16)20-11-10-17(21-19)14(3)4/h13-17H,8-12H2,1-7H3/t15-,16+,17+,19+/m1/s1
InChIKey QEEJQXDADWLCIR-DFEOGRTESA-N
Mol Weight 296.5 g/mol
Molecular Formula C19H36O2
Exact Mass 296.27153 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ucuKnDnWgf
Name 3'-Tert-butyl-6,6'-diisopropylspiro[dioxalane-2,1'-cyclohexane]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.271530397 u
Formula C19H36O2
InChI InChI=1S/C19H36O2/c1-13(2)16-9-8-15(18(5,6)7)12-19(16)20-11-10-17(21-19)14(3)4/h13-17H,8-12H2,1-7H3/t15-,16+,17+,19+/m1/s1
InChIKey QEEJQXDADWLCIR-DFEOGRTESA-N
SMILES [C@]12(O[C@](C(C)C)(CCO2)[H])[C@@](CC[C@](C1)(C(C)(C)C)[H])(C(C)C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95548