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N(6)-Demethylalstrophylline oxyindole
SpectraBase Compound ID BFBE9HQLF3o
InChI InChI=1S/C21H24N2O4/c1-11(24)14-9-27-10-15-13(14)7-19-21(8-17(15)22-19)16-5-4-12(26-3)6-18(16)23(2)20(21)25/h4-6,9,13,15,17,19,22H,7-8,10H2,1-3H3/t13?,15-,17-,19+,21?/m1/s1
InChIKey SIRGNISPBNTBGI-ZZZLYSKGSA-N
Mol Weight 368.43 g/mol
Molecular Formula C21H24N2O4
Exact Mass 368.173607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GD7pcHRk4Dm
Name N(6)-Demethylalstrophylline oxyindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O4
InChI InChI=1S/C21H24N2O4/c1-11(24)14-9-27-10-15-13(14)7-19-21(8-17(15)22-19)16-5-4-12(26-3)6-18(16)23(2)20(21)25/h4-6,9,13,15,17,19,22H,7-8,10H2,1-3H3/t13?,15-,17-,19+,21?/m1/s1
InChIKey SIRGNISPBNTBGI-ZZZLYSKGSA-N
Molecular Weight 368.433 g/mol
SMILES N1[C@@]2(CC3([C@@]1(CC1C(=COC[C@@]21[H])C(=O)C)[H])C(N(C)c1c3ccc(OC)c1)=O)[H]
SPLASH splash10-014i-2906000000-b6d26d39e2ccdaaabb18
Source of Spectrum PS-0-0-72
Synonyms (1'R,2'R,9'S)-6'-acetyl-6-methoxy-1-methyl-1,2-dihydro-4'-oxa-12'-azaspiro[indole-3,10'-tricyclo[7.2.1.0(2,7)]dodecan]-5'-en-2-one
Wiley ID 1353149