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

*Links on SpectraBase are not permalinks.
Benzyl 16-(4-nitrobenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate
SpectraBase Compound ID F7hsiPGnc2m
InChI InChI=1S/C27H37N3O8/c31-27(38-23-25-4-2-1-3-5-25)29-12-16-36-20-18-34-14-10-28(11-15-35-19-21-37-17-13-29)22-24-6-8-26(9-7-24)30(32)33/h1-9H,10-23H2
InChIKey XTNPAHJCSKBSLC-UHFFFAOYSA-N
Mol Weight 531.6 g/mol
Molecular Formula C27H37N3O8
Exact Mass 531.258065 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 9mjc0SW9RKL
Name Benzyl 16-(4-nitrobenzyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate
CAS Registry Number 282522-52-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H37N3O8
InChI InChI=1S/C27H37N3O8/c31-27(38-23-25-4-2-1-3-5-25)29-12-16-36-20-18-34-14-10-28(11-15-35-19-21-37-17-13-29)22-24-6-8-26(9-7-24)30(32)33/h1-9H,10-23H2
InChIKey XTNPAHJCSKBSLC-UHFFFAOYSA-N
Molecular Weight 531.606 g/mol
SMILES c1(N(=O)=O)ccc(CN2CCOCCOCCN(C(OCc3ccccc3)=O)CCOCCOCC2)cc1
SPLASH splash10-0006-9211000000-fde3e72bf9c3def6f474
Source of Spectrum NP-15-8784-0
Synonyms 16-(4-Nitro-benzyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadecane-7-carboxylic acid benzyl ester 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylic acid (phenylmethyl) ester benzyl 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate (phenylmethyl) 16-[(4-nitrophenyl)methyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7-carboxylate
Wiley ID 1112949