For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2S)-3-methyl-2-[methyl-(6,6,9,9-tetramethyl-7,8-dihydro-1H-benzo[g]indol-4-yl)amino]butanoic acid (phenylmethyl) ester
SpectraBase Compound ID 7b0GrXvut16
InChI InChI=1S/C29H38N2O2/c1-19(2)26(27(32)33-18-20-11-9-8-10-12-20)31(7)23-17-22-24(25-21(23)13-16-30-25)29(5,6)15-14-28(22,3)4/h8-13,16-17,19,26,30H,14-15,18H2,1-7H3/t26-/m0/s1
InChIKey PWOKRPWVKNBRIR-SANMLTNESA-N
Mol Weight 446.6 g/mol
Molecular Formula C29H38N2O2
Exact Mass 446.293328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Diij7U5ib0p
Name (2S)-3-methyl-2-[methyl-(6,6,9,9-tetramethyl-7,8-dihydro-1H-benzo[g]indol-4-yl)amino]butanoic acid (phenylmethyl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H38N2O2
InChI InChI=1S/C29H38N2O2/c1-19(2)26(27(32)33-18-20-11-9-8-10-12-20)31(7)23-17-22-24(25-21(23)13-16-30-25)29(5,6)15-14-28(22,3)4/h8-13,16-17,19,26,30H,14-15,18H2,1-7H3/t26-/m0/s1
InChIKey PWOKRPWVKNBRIR-SANMLTNESA-N
Molecular Weight 446.635 g/mol
SMILES [nH]1ccc2c1c1c(cc2N([C@](C(OCc2ccccc2)=O)(C(C)C)[H])C)C(CCC1(C)C)(C)C
SPLASH splash10-0ika-0005900000-3e109ab2ac44ffc0145d
Source of Spectrum J-56-4712-17
Synonyms (2S)-3-methyl-2-[methyl-(6,6,9,9-tetramethyl-7,8-dihydro-1H-benz[g]indol-4-yl)amino]butyric acid benzyl ester (phenylmethyl) (2S)-3-methyl-2-[methyl-(6,6,9,9-tetramethyl-7,8-dihydro-1H-benzo[g]indol-4-yl)amino]butanoate benzyl (2S)-3-methyl-2-[methyl-(6,6,9,9-tetramethyl-7,8-dihydro-1H-benzo[g]indol-4-yl)amino]butanoate
Wiley ID 1386804