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

*Links on SpectraBase are not permalinks.
Ethadione
SpectraBase Compound ID GtbjNrGv8Gb
InChI InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3
InChIKey SIGSNYAYBSJATD-UHFFFAOYSA-N
Mol Weight 157.17 g/mol
Molecular Formula C7H11NO3
Exact Mass 157.073893 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 4kgU4vad7Tk
Name Ethadione
CAS Registry Number 520-77-4
Classification Anticonvulsant
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 157.073893215 u
Formula C7H11NO3
InChI InChI=1S/C7H11NO3/c1-4-8-5(9)7(2,3)11-6(8)10/h4H2,1-3H3
InChIKey SIGSNYAYBSJATD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 157.169 g/mol
SMILES C1(C(=O)N(CC)C(O1)=O)(C)C
SPLASH splash10-0a4i-9200000000-1105678a96d800019d03
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_221