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3-Phenylhexahydro-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID 3VHvj9G4YCy
InChI InChI=1S/C14H16N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,18)/t11-,12-/m0/s1
InChIKey DBOZCZGUACKJSB-RYUDHWBXSA-N
Mol Weight 244.29 g/mol
Molecular Formula C14H16N2O2
Exact Mass 244.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbT3ajMPrmM
Name 3-Phenylhexahydro-2,4(1H,3H)-quinazolinedione
Alternate Name(s) trans-3-Phenyl-perhydrocyclohexano[d]pyrimidin-2,4-dione (4aS,8aS)-3-phenyl-4a,5,6,7,8,8a-hexahydro-1H-quinazoline-2,4-dione
CAS Registry Number 128668-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O2
InChI InChI=1S/C14H16N2O2/c17-13-11-8-4-5-9-12(11)15-14(18)16(13)10-6-2-1-3-7-10/h1-3,6-7,11-12H,4-5,8-9H2,(H,15,18)/t11-,12-/m0/s1
InChIKey DBOZCZGUACKJSB-RYUDHWBXSA-N
Molecular Weight 244.294 g/mol
SMILES N1[C@@]2([C@@](C(N(C1=O)c1ccccc1)=O)(CCCC2)[H])[H]
SPLASH splash10-0006-9220000000-bd08d54e518114156455
Source of Spectrum O-25-278-4
Wiley ID 1247157