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1-Isoquinolinecarboxylic acid, 2-(aminosulfonyl)-1,2,3,4-tetrahydro-, ethyl ester

View entire compound with spectra: 1 MS (GC)

1-Isoquinolinecarboxylic acid, 2-(aminosulfonyl)-1,2,3,4-tetrahydro-, ethyl ester
SpectraBase Compound ID LjXnOkFB52R
InChI InChI=1S/C12H16N2O4S/c1-2-18-12(15)11-10-6-4-3-5-9(10)7-8-14(11)19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H2,13,16,17)
InChIKey OJPWXXADIWBJOY-UHFFFAOYSA-N
Mol Weight 284.33 g/mol
Molecular Formula C12H16N2O4S
Exact Mass 284.083078 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EYQRq0JnLRa
Name 1-Isoquinolinecarboxylic acid, 2-(aminosulfonyl)-1,2,3,4-tetrahydro-, ethyl ester
Alternate Name(s) Ethyl 2-(aminosulfonyl)-1,2,3,4-tetrahydro-1-isoquinolinecarboxylate Ethyl 2-sulfamido-1,2,3,4-tetrahydroisoquinoline-1-carboxylate
CAS Registry Number 130669-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N2O4S
InChI InChI=1S/C12H16N2O4S/c1-2-18-12(15)11-10-6-4-3-5-9(10)7-8-14(11)19(13,16)17/h3-6,11H,2,7-8H2,1H3,(H2,13,16,17)
InChIKey OJPWXXADIWBJOY-UHFFFAOYSA-N
Molecular Weight 284.330 g/mol
SMILES NS(N1C(c2ccccc2CC1)C(=O)OCC)(=O)=O
SPLASH splash10-01q9-0970000000-077692ef6f96be9fd905
Source of Spectrum J-55-6102-15
Wiley ID 1287443