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

*Links on SpectraBase are not permalinks.
7-(3-acetoxypropoxy)-5-(carbomethoxyamino)-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-2-carboxylic acid methyl ester
SpectraBase Compound ID EN9z6CUXKDL
InChI InChI=1S/C34H38N2O9/c1-23(37)43-15-10-16-44-31-19-29(36-34(39)41-3)27(28-18-30(33(38)40-2)35-32(28)31)17-26(45-21-25-13-8-5-9-14-25)22-42-20-24-11-6-4-7-12-24/h4-9,11-14,18-19,26,35H,10,15-17,20-22H2,1-3H3,(H,36,39)/t26-/m0/s1
InChIKey PPWBSZRQODMNOH-SANMLTNESA-N
Mol Weight 618.7 g/mol
Molecular Formula C34H38N2O9
Exact Mass 618.257731 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 k3W8joT8SY
Name 7-(3-acetoxypropoxy)-5-(carbomethoxyamino)-4-[(2S)-2,3-dibenzoxypropyl]-1H-indole-2-carboxylic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H38N2O9
InChI InChI=1S/C34H38N2O9/c1-23(37)43-15-10-16-44-31-19-29(36-34(39)41-3)27(28-18-30(33(38)40-2)35-32(28)31)17-26(45-21-25-13-8-5-9-14-25)22-42-20-24-11-6-4-7-12-24/h4-9,11-14,18-19,26,35H,10,15-17,20-22H2,1-3H3,(H,36,39)/t26-/m0/s1
InChIKey PPWBSZRQODMNOH-SANMLTNESA-N
Molecular Weight 618.683 g/mol
SMILES [nH]1c2c(c(c(cc2OCCCOC(=O)C)NC(=O)OC)C[C@@](COCc2ccccc2)(OCc2ccccc2)[H])cc1C(=O)OC
SPLASH splash10-0udl-9800010000-f06ccf33b89e4a5c36ec
Source of Spectrum E1-46-569-56
Synonyms 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylic acid methyl ester Methyl 7-(3-acetoxypropoxy)-4-[(2S)-2,3-dibenzyloxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate Methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-bis(phenylmethoxy)propyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate
Wiley ID 1554307