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5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol

View entire compound with spectra: 2 NMR, 1 FTIR, and 2 MS (GC)

5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol
SpectraBase Compound ID Cj2k5AcP0QA
InChI InChI=1S/C18H38O/c1-14(11-17(3,4)5)9-10-16(13-19)15(2)12-18(6,7)8/h14-16,19H,9-13H2,1-8H3
InChIKey XVTOMLAMPUXGPS-UHFFFAOYSA-N
Mol Weight 270.5 g/mol
Molecular Formula C18H38O
Exact Mass 270.292266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7BflTPRmgiT
Name 5,7,7-Trimethyl-2-(1,3,3-trimethylbutyl)-1-octanol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 270.292265843 u
Formula C18H38O
InChI InChI=1S/C18H38O/c1-14(11-17(3,4)5)9-10-16(13-19)15(2)12-18(6,7)8/h14-16,19H,9-13H2,1-8H3
InChIKey XVTOMLAMPUXGPS-UHFFFAOYSA-N
Molecular Weight 270.501 g/mol
SMILES OCC(CCC(CC(C)(C)C)C)C(CC(C)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947454