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2-Pentanol, 1-[(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)oxy]-
SpectraBase Compound ID DWLW98890jf
InChI InChI=1S/C15H28O2/c1-6-7-13(16)10-17-14-11(2)8-9-12(3)15(14,4)5/h8,12-14,16H,6-7,9-10H2,1-5H3/t12-,13?,14+/m1/s1
InChIKey GGQFXZAMRGIZJG-YIOYIWSBSA-N
Mol Weight 240.39 g/mol
Molecular Formula C15H28O2
Exact Mass 240.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6iIzuds4RXd
Name 2-Pentanol, 1-[(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)oxy]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.208930140 u
Formula C15H28O2
InChI InChI=1S/C15H28O2/c1-6-7-13(16)10-17-14-11(2)8-9-12(3)15(14,4)5/h8,12-14,16H,6-7,9-10H2,1-5H3/t12-,13?,14+/m1/s1
InChIKey GGQFXZAMRGIZJG-YIOYIWSBSA-N
Molecular Weight 240.387 g/mol
SMILES C1([C@](C(C)=CC[C@]1(C)[H])(OCC(O)CCC)[H])(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.975943