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2-[4-(1-adamantyl)piperazin-1-yl]carbonyl-1-nitro-anthracene-9,10-dione

View entire compound with spectra: 1 MS (GC)

2-[4-(1-adamantyl)piperazin-1-yl]carbonyl-1-nitro-anthracene-9,10-dione
SpectraBase Compound ID 4jUI3gWhwAN
InChI InChI=1S/C29H29N3O5/c33-26-20-3-1-2-4-21(20)27(34)24-22(26)5-6-23(25(24)32(36)37)28(35)30-7-9-31(10-8-30)29-14-17-11-18(15-29)13-19(12-17)16-29/h1-6,17-19H,7-16H2/t17-,18+,19-,29-
InChIKey HRDGLMONWUZRSQ-XXUZKROJSA-N
Mol Weight 499.57 g/mol
Molecular Formula C29H29N3O5
Exact Mass 499.210721 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FaPXgLwldU6
Name 2-[4-(1-adamantyl)piperazin-1-yl]carbonyl-1-nitro-anthracene-9,10-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H29N3O5
InChI InChI=1S/C29H29N3O5/c33-26-20-3-1-2-4-21(20)27(34)24-22(26)5-6-23(25(24)32(36)37)28(35)30-7-9-31(10-8-30)29-14-17-11-18(15-29)13-19(12-17)16-29/h1-6,17-19H,7-16H2/t17-,18+,19-,29-
InChIKey HRDGLMONWUZRSQ-XXUZKROJSA-N
Molecular Weight 499.567 g/mol
SMILES c12c(c(C(N3CCN(C45C[C@]6(C[C@@](C5)(C[C@@](C4)(C6)[H])[H])[H])CC3)=O)ccc2C(c2ccccc2C1=O)=O)N(=O)=O
SPLASH splash10-000i-3910000000-e0e64024220645220ab9
Synonyms 2-[4-(1-adamantyl)piperazine-1-carbonyl]-1-nitro-9,10-anthraquinone 2-[4-(1-adamantyl)piperazine-1-carbonyl]-1-nitro-anthracene-9,10-dione 2-[[4-(1-adamantyl)-1-piperazinyl]-oxomethyl]-1-nitroanthracene-9,10-dione
Wiley ID 1442898