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

*Links on SpectraBase are not permalinks.
3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Butyrate
SpectraBase Compound ID COhQrX66NmN
InChI InChI=1S/C19H22O5/c1-4-7-15(20)24-11-19(2,3)10-14-16(21)12-8-5-6-9-13(12)17(22)18(14)23/h5-6,8-9,23H,4,7,10-11H2,1-3H3
InChIKey FIUACAHGRIONOD-UHFFFAOYSA-N
Mol Weight 330.38 g/mol
Molecular Formula C19H22O5
Exact Mass 330.146724 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 GpTZhpXjhdc
Name 3-(1,4-Dihydro-2-hydroxy-1,4-dioxonaphthalen-3-yl)-2,2-dimethylpropyl Butyrate
Appearance Yellow needles
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22O5
InChI InChI=1S/C19H22O5/c1-4-7-15(20)24-11-19(2,3)10-14-16(21)12-8-5-6-9-13(12)17(22)18(14)23/h5-6,8-9,23H,4,7,10-11H2,1-3H3
InChIKey FIUACAHGRIONOD-UHFFFAOYSA-N
Instrument Name GCMS-QP-5050A
Ionization Type EI
Literature Reference DOI 10.1021/jm901545z
Molecular Weight 330.380 g/mol
SMILES OC1=C(C(c2ccccc2C1=O)=O)CC(COC(CCC)=O)(C)C
SPLASH splash10-01r2-0980000000-9408a8c2d33f67da7500
Source of Spectrum AF-53-SM3-21
Wiley ID 1846329