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2-Furanmethanol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, acetate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

2-Furanmethanol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, acetate
SpectraBase Compound ID 6f5nLqU5dBb
InChI InChI=1S/C17H28O3/c1-12-6-8-14(9-7-12)17(5)11-10-15(20-17)16(3,4)19-13(2)18/h6,14-15H,7-11H2,1-5H3
InChIKey MYJZRXQEVRCHKP-UHFFFAOYSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8TASz2lDVxC
Name 2-Furanmethanol, tetrahydro-.alpha.,.alpha.,5-trimethyl-5-(4-methyl-3-cyclohexen-1-yl)-, acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 280.203844759 u
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-12-6-8-14(9-7-12)17(5)11-10-15(20-17)16(3,4)19-13(2)18/h6,14-15H,7-11H2,1-5H3
InChIKey MYJZRXQEVRCHKP-UHFFFAOYSA-N
SMILES C1(OC(CC1)C(OC(=O)C)(C)C)(C1CC=C(CC1)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974769