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3-[(1-Naphthyl)amino]-1-propanesulfonic acid, sodium salt
SpectraBase Compound ID 61mx5lI9T4K
InChI InChI=1S/C13H15NO3S.Na/c15-18(16,17)10-4-9-14-13-8-3-6-11-5-1-2-7-12(11)13;/h1-3,5-8,14H,4,9-10H2,(H,15,16,17);/q;+1/p-1
InChIKey HSOPFPPLFWZKJN-UHFFFAOYSA-M
Mol Weight 287.30876928 g/mol
Molecular Formula C13H14NNaO3S
Exact Mass 287.059209 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Kt85zsa3xdJ
Name 3-[(1-Naphthyl)amino]-1-propanesulfonic acid, sodium salt
Comments Computed using SmartSpectra Model v1.42
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Exact Mass 287.059208766 u
Formula C13H14NNaO3S
InChI InChI=1S/C13H15NO3S.Na/c15-18(16,17)10-4-9-14-13-8-3-6-11-5-1-2-7-12(11)13;/h1-3,5-8,14H,4,9-10H2,(H,15,16,17);/q;+1/p-1
InChIKey HSOPFPPLFWZKJN-UHFFFAOYSA-M
Molecular Weight 287.309 g/mol
SMILES [Na+].N(C1=CC=CC2=CC=CC=C12)CCCS(=O)([O-])=O
Spectrum/Structure Validation Score (Raman) 0.772593