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(3R,11aS)-3-(phenylmethyl)-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione

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(3R,11aS)-3-(phenylmethyl)-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
SpectraBase Compound ID 6kfpzf1PRdB
InChI InChI=1S/C19H18N2O2/c22-18-17-11-14-8-4-5-9-15(14)12-21(17)19(23)16(20-18)10-13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,20,22)/t16-,17+/m1/s1
InChIKey XMSLHSOEYLLGDT-SJORKVTESA-N
Mol Weight 306.37 g/mol
Molecular Formula C19H18N2O2
Exact Mass 306.136828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID vfVV1SzI1H
Name (3R,11aS)-3-(phenylmethyl)-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
Alternate Name(s) (3R,11aS)-3-benzyl-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione (3R,11aS)-3-benzyl-3,6,11,11a-tetrahydro-2H-pyrazin[1,2-b]isoquinoline-1,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N2O2
InChI InChI=1S/C19H18N2O2/c22-18-17-11-14-8-4-5-9-15(14)12-21(17)19(23)16(20-18)10-13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,20,22)/t16-,17+/m1/s1
InChIKey XMSLHSOEYLLGDT-SJORKVTESA-N
Molecular Weight 306.365 g/mol
SMILES N1[C@@](C(N2[C@](C1=O)(Cc1c(C2)cccc1)[H])=O)(Cc1ccccc1)[H]
SPLASH splash10-000x-9000000000-ad7e761f3307cfc9b3ed
Source of Spectrum U1-2002-3942-12
Wiley ID 1523503