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5-Oxatricyclo[4.4.0.01,4]decane, 4,6,10,10-tetramethyl-7-(1-methylethoxy)-
SpectraBase Compound ID 4P9Mx4cXCaU
InChI InChI=1S/C16H28O2/c1-11(2)17-12-7-8-13(3,4)16-10-9-14(16,5)18-15(12,16)6/h11-12H,7-10H2,1-6H3
InChIKey KISIGSQULKTKJO-UHFFFAOYSA-N
Mol Weight 252.4 g/mol
Molecular Formula C16H28O2
Exact Mass 252.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Av11BnRwajx
Name 5-Oxatricyclo[4.4.0.01,4]decane, 4,6,10,10-tetramethyl-7-(1-methylethoxy)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.208930140 u
Formula C16H28O2
InChI InChI=1S/C16H28O2/c1-11(2)17-12-7-8-13(3,4)16-10-9-14(16,5)18-15(12,16)6/h11-12H,7-10H2,1-6H3
InChIKey KISIGSQULKTKJO-UHFFFAOYSA-N
Molecular Weight 252.398 g/mol
SMILES C12(C3(C(C)(C)CCC2OC(C)C)CCC3(O1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956008