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

*Links on SpectraBase are not permalinks.
Diethyl 3,3-bis{4"-hydroxy-3"-methyl-5"-[-(morpholin-4''-yl)methyl]phenyl}pentane-1,5-dioate
SpectraBase Compound ID B3tJDkEjJYv
InChI InChI=1S/C33H46N2O8/c1-5-42-29(36)19-33(20-30(37)43-6-2,27-15-23(3)31(38)25(17-27)21-34-7-11-40-12-8-34)28-16-24(4)32(39)26(18-28)22-35-9-13-41-14-10-35/h15-18,38-39H,5-14,19-22H2,1-4H3
InChIKey BEBNBRFFOMXUGN-UHFFFAOYSA-N
Mol Weight 598.7 g/mol
Molecular Formula C33H46N2O8
Exact Mass 598.325416 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 1F5R7qk88MR
Name Diethyl 3,3-bis{4"-hydroxy-3"-methyl-5"-[-(morpholin-4''-yl)methyl]phenyl}pentane-1,5-dioate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H46N2O8
InChI InChI=1S/C33H46N2O8/c1-5-42-29(36)19-33(20-30(37)43-6-2,27-15-23(3)31(38)25(17-27)21-34-7-11-40-12-8-34)28-16-24(4)32(39)26(18-28)22-35-9-13-41-14-10-35/h15-18,38-39H,5-14,19-22H2,1-4H3
InChIKey BEBNBRFFOMXUGN-UHFFFAOYSA-N
Molecular Weight 598.737 g/mol
SMILES Oc1c(cc(C(c2cc(c(c(c2)CN2CCOCC2)O)C)(CC(=O)OCC)CC(=O)OCC)cc1C)CN1CCOCC1
SPLASH splash10-01ot-0000090000-fc3902a95a666f677ea0
Source of Spectrum H-82-1090-35
Synonyms diethyl 3,3-bis[4-hydroxy-3-methyl-5-(4-morpholinylmethyl)phenyl]pentanedioate Diethyl 3,3-bis{4''-hydroxy-3''-methyl-5''-[-(morpholin-4''-yl)methyl]phenyl}pentane-1,5-dicarboxylate Diethyl 3,3-bis{4''-hydroxy-3''-methyl-5''-[-(morpholin-4''-yl)methyl]phenyl}pentane-1,5-dicarboxylate Diethyl 3,3-bis{4''-hydroxy-3''-methyl-5''-[-(morpholin-4''-yl)methyl]phenyl}pentane-1,5-dioate
Wiley ID 815421