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

*Links on SpectraBase are not permalinks.

Biscatechol THP ether

View entire compound with spectra: 2 MS (GC)

Biscatechol THP ether
SpectraBase Compound ID 3Ct56CV8Pid
InChI InChI=1S/C61H65N3O12/c65-55(31-17-34-62-60(67)51-27-15-29-53(73-43-47-19-5-1-6-20-47)58(51)75-45-49-23-9-3-10-24-49)69-40-36-64(38-42-72-57-33-13-14-39-71-57)37-41-70-56(66)32-18-35-63-61(68)52-28-16-30-54(74-44-48-21-7-2-8-22-48)59(52)76-46-50-25-11-4-12-26-50/h1-12,15-32,57H,13-14,33-46H2,(H,62,67)(H,63,68)/b31-17+,32-18+
InChIKey JTMUGEMTDUCMQD-LTTYKRRRSA-N
Mol Weight 1032.2 g/mol
Molecular Formula C61H65N3O12
Exact Mass 1031.456825 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 1BOwv06Wo16
Name Biscatechol THP ether
Alternate Name(s) 2-[(2-{[(2E)-4-{[2,3-bis(benzyloxy)phenyl]formamido}but-2-enoyl]oxy}ethyl)[2-(oxan-2-yloxy)ethyl]amino]ethyl (2E)-4-{[2,3-bis(benzyloxy)phenyl]formamido}but-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C61H65N3O12
InChI InChI=1S/C61H65N3O12/c65-55(31-17-34-62-60(67)51-27-15-29-53(73-43-47-19-5-1-6-20-47)58(51)75-45-49-23-9-3-10-24-49)69-40-36-64(38-42-72-57-33-13-14-39-71-57)37-41-70-56(66)32-18-35-63-61(68)52-28-16-30-54(74-44-48-21-7-2-8-22-48)59(52)76-46-50-25-11-4-12-26-50/h1-12,15-32,57H,13-14,33-46H2,(H,62,67)(H,63,68)/b31-17+,32-18+
InChIKey JTMUGEMTDUCMQD-LTTYKRRRSA-N
Molecular Weight 1032.200 g/mol
SMILES N(C(c1c(OCc2ccccc2)c(OCc2ccccc2)ccc1)=O)C\C=C\C(OCCN(CCOC(\C=C\CNC(c1c(OCc2ccccc2)c(OCc2ccccc2)ccc1)=O)=O)CCOC1OCCCC1)=O
SPLASH splash10-00mo-9045030000-d96a2e6ee2baf89247b3
Source of Spectrum F-62-7804-15
Wiley ID 1640374