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

*Links on SpectraBase are not permalinks.
Phthalofyne
SpectraBase Compound ID 5KZDmJ9tHXT
InChI InChI=1S/C14H14O4/c1-4-14(3,5-2)18-13(17)11-9-7-6-8-10(11)12(15)16/h1,6-9H,5H2,2-3H3,(H,15,16)
InChIKey CZGIRAWWWHPJHM-UHFFFAOYSA-N
Mol Weight 246.26 g/mol
Molecular Formula C14H14O4
Exact Mass 246.089209 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 JWWXmOYCXZF
Name Phthalofyne
Comments (unverified)
Copyright Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved.
Formula C14H14O4
InChI InChI=1S/C14H14O4/c1-4-14(3,5-2)18-13(17)11-9-7-6-8-10(11)12(15)16/h1,6-9H,5H2,2-3H3,(H,15,16)
InChIKey CZGIRAWWWHPJHM-UHFFFAOYSA-N
SMILES OC(c1c(cccc1)C(OC(CC)(C)C#C)=O)=O
SPLASH splash10-0f92-9300000000-eda9721f44bd1fe6002f
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences