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2-p-Tolylnaphthyl-spiro-1,3'-4'-chloro-5'-ethoxycarbonylisoxazoline

View entire compound with spectra: 1 MS (GC)

2-p-Tolylnaphthyl-spiro-1,3'-4'-chloro-5'-ethoxycarbonylisoxazoline
SpectraBase Compound ID LxADHRtf1kg
InChI InChI=1S/C22H20ClNO3/c1-3-26-21(25)19-20(23)22(27-24-19)17-7-5-4-6-15(17)12-13-18(22)16-10-8-14(2)9-11-16/h4-13,18,20H,3H2,1-2H3/t18-,20+,22-/m0/s1
InChIKey SDXQJKRAWQVSEM-DWLFOUALSA-N
Mol Weight 381.86 g/mol
Molecular Formula C22H20ClNO3
Exact Mass 381.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JE5Ez5yT2x7
Name 2-p-Tolylnaphthyl-spiro-1,3'-4'-chloro-5'-ethoxycarbonylisoxazoline
Alternate Name(s) 2-p-Tolylnaphthyl-spiro-1,5'-4'-chloro-3'-ethoxycarbonylisoxazoline Ethyl (2'S,4R,5R)-4-chloro-2'-(4-methylphenyl)-2'H,4H-spiro[isoxazole-5,1'-naphthalene]-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20ClNO3
InChI InChI=1S/C22H20ClNO3/c1-3-26-21(25)19-20(23)22(27-24-19)17-7-5-4-6-15(17)12-13-18(22)16-10-8-14(2)9-11-16/h4-13,18,20H,3H2,1-2H3/t18-,20+,22-/m0/s1
InChIKey SDXQJKRAWQVSEM-DWLFOUALSA-N
Molecular Weight 381.859 g/mol
SMILES [C@@]12([C@@](C(C(=O)OCC)=NO2)(Cl)[H])[C@@](C=Cc2c1cccc2)(c1ccc(cc1)C)[H]
SPLASH splash10-0002-0039000000-1b8fda82b7e92628d406
Source of Spectrum H1-36-2666-2
Wiley ID 755586