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5a,9-dimethyl-3-[(3,3,5-trimethyl-1-azepanyl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
SpectraBase Compound ID Cwm1ZxPQtM4
InChI InChI=1S/C24H35NO3/c1-15-8-11-25(14-23(3,4)12-15)13-18-17-6-9-24(5)10-7-19(26)16(2)20(24)21(17)28-22(18)27/h7,10,15,17-18,21H,6,8-9,11-14H2,1-5H3
InChIKey ZKHQMBPYBVPJKV-UHFFFAOYSA-N
Mol Weight 385.5 g/mol
Molecular Formula C24H35NO3
Exact Mass 385.261694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ASBB33wr36L
Name 5a,9-dimethyl-3-[(3,3,5-trimethyl-1-azepanyl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NO3
InChI InChI=1S/C24H35NO3/c1-15-8-11-25(14-23(3,4)12-15)13-18-17-6-9-24(5)10-7-19(26)16(2)20(24)21(17)28-22(18)27/h7,10,15,17-18,21H,6,8-9,11-14H2,1-5H3
InChIKey ZKHQMBPYBVPJKV-UHFFFAOYSA-N
Molecular Weight 385.548 g/mol
SMILES C1=2C(C=CC(C2C)=O)(CCC2C1OC(C2CN1CCC(CC(C1)(C)C)C)=O)C
SPLASH splash10-0udi-8900000000-e22b8bb4d8ed60cfcd31
Synonyms 5a,9-dimethyl-3-[(3,3,5-trimethylazepan-1-yl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-dione 5a,9-dimethyl-3-[(3,3,5-trimethylazepan-1-yl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,8-quinone 5a,9-dimethyl-3-[(3,3,5-trimethylazepan-1-yl)methyl]-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,8-dione
Wiley ID 1446764