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1,3(2H,4H)-Isoquinolinedione, hexahydro-, cis-
SpectraBase Compound ID BHUNe69iEDS
InChI InChI=1S/C9H13NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h6-7H,1-5H2,(H,10,11,12)/t6-,7-/m1/s1
InChIKey FSVPKHBCGLKONR-RNFRBKRXSA-N
Mol Weight 167.21 g/mol
Molecular Formula C9H13NO2
Exact Mass 167.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KXMpTSibuGd
Name 1,3(2H,4H)-Isoquinolinedione, hexahydro-, cis-
CAS Registry Number 122565-39-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H13NO2
InChI InChI=1S/C9H13NO2/c11-8-5-6-3-1-2-4-7(6)9(12)10-8/h6-7H,1-5H2,(H,10,11,12)/t6-,7-/m1/s1
InChIKey FSVPKHBCGLKONR-RNFRBKRXSA-N
Molecular Weight 167.208 g/mol
SMILES N1C(C[C@]2(CCCC[C@]2(C1=O)[H])[H])=O
SPLASH splash10-03y0-1900000000-4f6a1dc32b8ff8ec4486
Source of Spectrum J-54-4342-17
Synonyms (4aR,8aR)-hexahydro-1,3(2H,4H)-isoquinolinedione (4aS*,8aS*)-1,2,3,4,4a,5,6,7,8,8a-perhydroisoquinoline-1,3-dione
Wiley ID 1163647