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

*Links on SpectraBase are not permalinks.
3,4-Dimethyl-4-(5-methyl-2-furyl)pentanoic acid
SpectraBase Compound ID 2ZajjRqWX39
InChI InChI=1S/C12H18O3/c1-8(7-11(13)14)12(3,4)10-6-5-9(2)15-10/h5-6,8H,7H2,1-4H3,(H,13,14)
InChIKey KDMBPZGDHNNSPK-UHFFFAOYSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Fxd2zwkeqjR
Name 3,4-Dimethyl-4-(5-methyl-2-furyl)pentanoic acid
Alternate Name(s) 3,4-Dimethyl-4-(5-methylfuran-2-yl)pentanoic acid 3,4-Dimethyl-4-(5-methyl-2-furanyl)pentanoic acid
CAS Registry Number 125254-51-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c1-8(7-11(13)14)12(3,4)10-6-5-9(2)15-10/h5-6,8H,7H2,1-4H3,(H,13,14)
InChIKey KDMBPZGDHNNSPK-UHFFFAOYSA-N
Molecular Weight 210.273 g/mol
SMILES OC(CC(C(c1oc(C)cc1)(C)C)C)=O
SPLASH splash10-00di-3900000000-0dbd762a9b2ac32b38e7
Source of Spectrum H-72-762-23
Wiley ID 1209234