(5-Benzo[1,3]dioxol-5-yl-tetrazol-2-yl)-acetic acid ethyl ester

SpectraBase Compound ID	278SFm6B14f
InChI	InChI=1S/C12H12N4O4/c1-2-18-11(17)6-16-14-12(13-15-16)8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3
InChIKey	LWKTYCUWNCNVIJ-UHFFFAOYSA-N Google Search
Mol Weight	276.25 g/mol
Molecular Formula	C12H12N4O4
Exact Mass	276.085855 g/mol

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SpectraBase Spectrum ID	4mEFBeVSsvO
Name	2H-tetrazole-2-acetic acid, 5-(1,3-benzodioxol-5-yl)-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	276.085854878 u
Formula	C12H12N4O4
InChI	InChI=1S/C12H12N4O4/c1-2-18-11(17)6-16-14-12(13-15-16)8-3-4-9-10(5-8)20-7-19-9/h3-5H,2,6-7H2,1H3
InChIKey	LWKTYCUWNCNVIJ-UHFFFAOYSA-N
Molecular Weight	276.252 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_12985
Solvent	DMSO-d6
Source	Vendor ID: NMR/10291487; Lab Info: SAD; Lab Number: SAD-0102458