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(R)-(-)-2-(cis-4-(Benzyloxy)cyclohexanecarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
SpectraBase Compound ID Bfv0JFQYVyj
InChI InChI=1S/C26H30N2O3/c29-25-17-27(16-24-23-9-5-4-8-20(23)14-15-28(24)25)26(30)21-10-12-22(13-11-21)31-18-19-6-2-1-3-7-19/h1-9,21-22,24H,10-18H2/t21-,22+,24-/m0/s1
InChIKey MZNGHEYGPIIHTN-ZDXQCDESSA-N
Mol Weight 418.54 g/mol
Molecular Formula C26H30N2O3
Exact Mass 418.225643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0KHLgVZYIM
Name (R)-(-)-2-(cis-4-(Benzyloxy)cyclohexanecarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Alternate Name(s) (R)-2-((1s,4S)-4-(benzyloxy)cyclohexanecarbonyl)-2,3,6,7-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4(11bH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30N2O3
InChI InChI=1S/C26H30N2O3/c29-25-17-27(16-24-23-9-5-4-8-20(23)14-15-28(24)25)26(30)21-10-12-22(13-11-21)31-18-19-6-2-1-3-7-19/h1-9,21-22,24H,10-18H2/t21-,22+,24-/m0/s1
InChIKey MZNGHEYGPIIHTN-ZDXQCDESSA-N
Molecular Weight 418.537 g/mol
SMILES C(N1C[C@]2(c3c(cccc3)CCN2C(C1)=O)[H])([C@]1(CC[C@@](OCc2ccccc2)(CC1)[H])[H])=O
SPLASH splash10-0ue9-0793100000-261b8ac60af1453ba5f5
Source of Spectrum QC-25-138-8a
Wiley ID 1738920