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Penbutolol-M (di-HO-) 3AC
SpectraBase Compound ID 9e17Pk0HlfO
InChI InChI=1S/C24H35NO7/c1-15(26)30-19(13-25-24(4,5)6)14-29-20-11-12-21(31-16(2)27)23(32-17(3)28)22(20)18-9-7-8-10-18/h11-12,18-19,25H,7-10,13-14H2,1-6H3
InChIKey NRNVLQVXDXASNI-UHFFFAOYSA-N
Mol Weight 449.5 g/mol
Molecular Formula C24H35NO7
Exact Mass 449.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KGNDuGoUDa
Name 1,2-Diacetoxy-3-cyclopentyl-4-(2-acetoxy-3-(tibutylamino)-propoxy)-benzene
Alternate Name(s) 2-(acetyloxy)-4-[2-(acetyloxy)-3-(tert-butylamino)propoxy]-3-cyclopentylphenyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H35NO7
InChI InChI=1S/C24H35NO7/c1-15(26)30-19(13-25-24(4,5)6)14-29-20-11-12-21(31-16(2)27)23(32-17(3)28)22(20)18-9-7-8-10-18/h11-12,18-19,25H,7-10,13-14H2,1-6H3
InChIKey NRNVLQVXDXASNI-UHFFFAOYSA-N
Molecular Weight 449.544 g/mol
SMILES N(CC(OC(=O)C)COc1c(c(c(OC(=O)C)cc1)OC(=O)C)C1CCCC1)C(C)(C)C
SPLASH splash10-0019-9101300000-c7163f9cb8002bbcaa13
Source of Spectrum JC-382-161-72
Wiley ID 1387437