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2,5-Piperazinedione, 1-hydroxy-3-methoxy-3,4-dimethyl-6-[(1-methyl-1H-indol-3-yl)methyl]-, trans-(.+-.)-
SpectraBase Compound ID 5t2veNN8fWg
InChI InChI=1S/C17H21N3O4/c1-17(24-4)16(22)20(23)14(15(21)19(17)3)9-11-10-18(2)13-8-6-5-7-12(11)13/h5-8,10,14,23H,9H2,1-4H3/t14-,17-/m1/s1
InChIKey BIGILTWDCOVBAX-RHSMWYFYSA-N
Mol Weight 331.37 g/mol
Molecular Formula C17H21N3O4
Exact Mass 331.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JUUezkIimrg
Name 2,5-Piperazinedione, 1-hydroxy-3-methoxy-3,4-dimethyl-6-[(1-methyl-1H-indol-3-yl)methyl]-, trans-(.+-.)-
CAS Registry Number 114519-18-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N3O4
InChI InChI=1S/C17H21N3O4/c1-17(24-4)16(22)20(23)14(15(21)19(17)3)9-11-10-18(2)13-8-6-5-7-12(11)13/h5-8,10,14,23H,9H2,1-4H3/t14-,17-/m1/s1
InChIKey BIGILTWDCOVBAX-RHSMWYFYSA-N
Molecular Weight 331.372 g/mol
SMILES ON1[C@@](C(=O)N([C@@](C1=O)(OC)C)C)(Cc1c[n](C)c2c1cccc2)[H]
SPLASH splash10-0006-0900000000-e8729cf02aa76ab9b623
Source of Spectrum KC-1987-2487-6
Synonyms (3R,6R)-1-hydroxy-3-methoxy-3,4-dimethyl-6-[(1-methyl-1H-indol-3-yl)methyl]-2,5-piperazinedione trans-1-hydroxy-3-methoxy-3,4-dimethyl-6-[(N-methylindol-3-yl)methyl]piperazine-2,5-dione
Wiley ID 1328641