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

*Links on SpectraBase are not permalinks.
N-(2-Acetoxyethyl)-1-isoquinolone
SpectraBase Compound ID 7eSc62Lr3a
InChI InChI=1S/C13H13NO3/c1-10(15)17-9-8-14-7-6-11-4-2-3-5-12(11)13(14)16/h2-7H,8-9H2,1H3
InChIKey SNZAJTYWILOMSD-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 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 GBAULWDBMPI
Name N-(2-Acetoxyethyl)-1-isoquinolone
CAS Registry Number 68152-21-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-10(15)17-9-8-14-7-6-11-4-2-3-5-12(11)13(14)16/h2-7H,8-9H2,1H3
InChIKey SNZAJTYWILOMSD-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES C1(N(C=Cc2c1cccc2)CCOC(=O)C)=O
SPLASH splash10-0089-0690000000-5ad36b5843c9aa7ac201
Source of Spectrum J-44-286-0
Synonyms 2-(1-oxo-2(1H)-isoquinolinyl)ethyl acetate
Wiley ID 1232756