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

*Links on SpectraBase are not permalinks.
1,3(2H,4H)-Isoquinolinedione, 4a,7,8,8a-tetrahydro-, cis-
SpectraBase Compound ID KVacfRVAicP
InChI InChI=1S/C9H11NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1,3,6-7H,2,4-5H2,(H,10,11,12)/t6-,7-/m0/s1
InChIKey GPHCRTKYQMZAAO-BQBZGAKWSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 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 FY51fFBLlsd
Name 1,3(2H,4H)-Isoquinolinedione, 4a,7,8,8a-tetrahydro-, cis-
Alternate Name(s) (4aR,8aS)-4a,7,8,8a-tetrahydro-1,3(2H,4H)-isoquinolinedione (4aS*,8aS)-1,2,3,4,4a,7,8,8a-octahydroisquinoline-1,3-dione
CAS Registry Number 122490-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NO2
InChI InChI=1S/C9H11NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h1,3,6-7H,2,4-5H2,(H,10,11,12)/t6-,7-/m0/s1
InChIKey GPHCRTKYQMZAAO-BQBZGAKWSA-N
Molecular Weight 165.192 g/mol
SMILES N1C(C[C@@]2(C=CCC[C@@]2(C1=O)[H])[H])=O
SPLASH splash10-01bc-3900000000-e32ac16e95230b9faf72
Source of Spectrum J-54-4342-16
Wiley ID 1161503