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6-[3-(tert-butoxycarbonyl)-1-oxopentyl]-5,8-diaza-tricyclo[7.4.0.0(2,7)]tridec-2,9,10,12-tetraene-6-carboxylate
SpectraBase Compound ID 1OiyYmA36ZR
InChI InChI=1S/C26H36N2O5/c1-8-16(22(30)32-24(2,3)4)15-20(29)26(23(31)33-25(5,6)7)21-18(13-14-27-26)17-11-9-10-12-19(17)28-21/h9-12,16,27-28H,8,13-15H2,1-7H3
InChIKey ZCALKZRBZGYEDZ-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C26H36N2O5
Exact Mass 456.262422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I9RWl968JW5
Name 6-[3-(tert-butoxycarbonyl)-1-oxopentyl]-5,8-diaza-tricyclo[7.4.0.0(2,7)]tridec-2,9,10,12-tetraene-6-carboxylate
Alternate Name(s) 1-(3-tert-Butoxycarbonyl-pentanoyl)-2,3,4,9-tetrahydro-1H-.beta.-carboline-1-carboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36N2O5
InChI InChI=1S/C26H36N2O5/c1-8-16(22(30)32-24(2,3)4)15-20(29)26(23(31)33-25(5,6)7)21-18(13-14-27-26)17-11-9-10-12-19(17)28-21/h9-12,16,27-28H,8,13-15H2,1-7H3
InChIKey ZCALKZRBZGYEDZ-UHFFFAOYSA-N
Molecular Weight 456.583 g/mol
SMILES [nH]1c2ccccc2c2c1C(C(OC(C)(C)C)=O)(C(CC(C(OC(C)(C)C)=O)CC)=O)NCC2
SPLASH splash10-014i-0090000000-77577d2ff7ee27f204d0
Source of Spectrum F-48-7080-20
Wiley ID 1389339