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3-Phenylthiomethyl-5-methoxycarbonyl-4,5-dihydroisoxazole
SpectraBase Compound ID 6boMKbgdruf
InChI InChI=1S/C12H13NO3S/c1-15-12(14)11-7-9(13-16-11)8-17-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey ZGNLNSSYJOUILI-UHFFFAOYSA-N
Mol Weight 251.3 g/mol
Molecular Formula C12H13NO3S
Exact Mass 251.061614 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L2nBmecumsL
Name 3-Phenylthiomethyl-5-methoxycarbonyl-4,5-dihydroisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO3S
InChI InChI=1S/C12H13NO3S/c1-15-12(14)11-7-9(13-16-11)8-17-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey ZGNLNSSYJOUILI-UHFFFAOYSA-N
Molecular Weight 251.300 g/mol
SMILES C1(ON=C(C1)CSc1ccccc1)C(=O)OC
SPLASH splash10-0a4i-9200000000-a74283e8d5adbdd80116
Source of Spectrum AJ-61-3977-6
Synonyms Methyl 3-[(phenylsulfanyl)methyl]-4,5-dihydro-5-isoxazolecarboxylate
Wiley ID 1254378