For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Obtusenol

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

Obtusenol
SpectraBase Compound ID 9HvvcrwdcCG
InChI InChI=1S/C15H26Br2O2/c1-6-14(4,18)9-7-12(17)15(5)10-8-11(16)13(2,3)19-15/h6,11-12,18H,1,7-10H2,2-5H3
InChIKey HETKQJWBRYLJQV-UHFFFAOYSA-N
Mol Weight 398.18 g/mol
Molecular Formula C15H26Br2O2
Exact Mass 396.029956 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID F9H0QJ4XPZG
Name Obtusenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.029956075 u
Formula C15H26Br2O2
InChI InChI=1S/C15H26Br2O2/c1-6-14(4,18)9-7-12(17)15(5)10-8-11(16)13(2,3)19-15/h6,11-12,18H,1,7-10H2,2-5H3
InChIKey HETKQJWBRYLJQV-UHFFFAOYSA-N
Molecular Weight 398.179 g/mol
SMILES C1(OC(CCC1Br)(C)C(Br)CCC(O)(C)C=C)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965185