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

*Links on SpectraBase are not permalinks.
8-[bis(2'-Acetyloxy)ethyl]aminocaffeine
SpectraBase Compound ID 4qJV7kbgcl5
InChI InChI=1S/C16H23N5O6/c1-10(22)26-8-6-21(7-9-27-11(2)23)15-17-13-12(18(15)3)14(24)20(5)16(25)19(13)4/h6-9H2,1-5H3
InChIKey ZAFKCZSGQZIQED-UHFFFAOYSA-N
Mol Weight 381.39 g/mol
Molecular Formula C16H23N5O6
Exact Mass 381.164833 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 BqoIcHA6z56
Name 8-[bis(2'-Acetyloxy)ethyl]aminocaffeine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23N5O6
InChI InChI=1S/C16H23N5O6/c1-10(22)26-8-6-21(7-9-27-11(2)23)15-17-13-12(18(15)3)14(24)20(5)16(25)19(13)4/h6-9H2,1-5H3
InChIKey ZAFKCZSGQZIQED-UHFFFAOYSA-N
Molecular Weight 381.389 g/mol
SMILES c12c(C(N(C)C(N2C)=O)=O)[n](C)c(n1)N(CCOC(=O)C)CCOC(=O)C
SPLASH splash10-0006-9142000000-b7f5b8efbb709eb3d6b5
Source of Spectrum U1-1999-2425-3
Synonyms Acetic acid 2-[2-acetyloxyethyl-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)amino]ethyl ester 2-[2-acetyloxyethyl-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethyl acetate 2-[2-acetoxyethyl-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]ethyl acetate 2-[2-acetyloxyethyl-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]ethyl ethanoate
Wiley ID 753715