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Ethyl 2-methyl-2-[1-(isoquinolin-1-yl)-1,2,3,4-tetrazol-5-yl]propanoate
SpectraBase Compound ID 4hHRG7uLpLI
InChI InChI=1S/C16H17N5O2/c1-4-23-15(22)16(2,3)14-18-19-20-21(14)13-12-8-6-5-7-11(12)9-10-17-13/h5-10H,4H2,1-3H3
InChIKey GEGCBWDIYVCTMD-UHFFFAOYSA-N
Mol Weight 311.35 g/mol
Molecular Formula C16H17N5O2
Exact Mass 311.138225 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImTJEDfqXCY
Name Ethyl 2-methyl-2-[1-(isoquinolin-1-yl)-1,2,3,4-tetrazol-5-yl]propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17N5O2
InChI InChI=1S/C16H17N5O2/c1-4-23-15(22)16(2,3)14-18-19-20-21(14)13-12-8-6-5-7-11(12)9-10-17-13/h5-10H,4H2,1-3H3
InChIKey GEGCBWDIYVCTMD-UHFFFAOYSA-N
Molecular Weight 311.345 g/mol
SMILES c1([n](nnn1)-c1c2c(cccc2)ccn1)C(C(=O)OCC)(C)C
SPLASH splash10-03xr-0980000000-f0ad6d10501fd8d5f247
Source of Spectrum B-48-1861-6
Wiley ID 1209432