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benzoic acid, 3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]-
SpectraBase Compound ID BfbVa1miAuF
InChI InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)
InChIKey ZGVIUMKHTXKKOX-UHFFFAOYSA-N
Mol Weight 317.36 g/mol
Molecular Formula C16H15NO4S
Exact Mass 317.072179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JHGBixlTsi3
Name 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
Alternate Name(s) Benzoic acid, 3-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15NO4S
InChI InChI=1S/C16H15NO4S/c18-16(19)13-6-3-7-15(10-13)22(20,21)17-9-8-12-4-1-2-5-14(12)11-17/h1-7,10H,8-9,11H2,(H,18,19)
InChIKey ZGVIUMKHTXKKOX-UHFFFAOYSA-N
Molecular Weight 317.359 g/mol
SMILES OC(c1cc(S(N2Cc3ccccc3CC2)(=O)=O)ccc1)=O
SPLASH splash10-0f89-3900000000-c64a6c95f10f1ed7f6c2
Wiley ID 1441457