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2-METHYL-4H-3,1-BENZOXATHIIN-2-CARBOXYLIC-ACID,ETHYLESTER
SpectraBase Compound ID 1PDhDSTCKhq
InChI InChI=1S/C12H14O3S/c1-3-14-11(13)12(2)15-8-9-6-4-5-7-10(9)16-12/h4-7H,3,8H2,1-2H3
InChIKey YSPMTRUEKRIIKV-UHFFFAOYSA-N
Mol Weight 238.3 g/mol
Molecular Formula C12H14O3S
Exact Mass 238.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8jk5pestl9M
Name Ethyl 2-methyl-4H-3,1-benzoxathiine-2-carboxylate
CAS Registry Number 124921-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H14O3S
InChI InChI=1S/C12H14O3S/c1-3-14-11(13)12(2)15-8-9-6-4-5-7-10(9)16-12/h4-7H,3,8H2,1-2H3
InChIKey YSPMTRUEKRIIKV-UHFFFAOYSA-N
Molecular Weight 238.301 g/mol
SMILES C1(Sc2c(cccc2)CO1)(C(=O)OCC)C
SPLASH splash10-00di-0900000000-95c5042a4105baec4253
Source of Spectrum K-123-1146-4
Synonyms Ethyl 2-methyl-4H-3,1-benzoxathiin-2-carboxylate
Wiley ID 1240239