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(R,SS)-3-Ethyl-2,3-dihydrobenzo[d]isothiazole-1-oxide
SpectraBase Compound ID 2lDXczBAZBB
InChI InChI=1S/C9H11NOS/c1-2-8-7-5-3-4-6-9(7)12(11)10-8/h3-6,8,10H,2H2,1H3/t8-,12?/m1/s1
InChIKey RGBXJYGNUBSGMK-SZSXPDSJSA-N
Mol Weight 181.25 g/mol
Molecular Formula C9H11NOS
Exact Mass 181.056135 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LTpep7ZoI51
Name (R,SS)-3-Ethyl-2,3-dihydrobenzo[d]isothiazole-1-oxide
Alternate Name(s) (1S,3R)-3-ethyl-2,3-dihydrobenzo[d]isothiazole 1-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11NOS
InChI InChI=1S/C9H11NOS/c1-2-8-7-5-3-4-6-9(7)12(11)10-8/h3-6,8,10H,2H2,1H3/t8-,12?/m1/s1
InChIKey RGBXJYGNUBSGMK-SZSXPDSJSA-N
Literature Reference DOI 10.1039/c4cc01831a
Molecular Weight 181.253 g/mol
SMILES N1[S@+](c2ccccc2[C@]1(CC)[H])[O-]
SPLASH splash10-03di-0900000000-aad66671161cf613d1c5
Source of Spectrum KD-50-6046/SMS7-5a
Wiley ID 1754662