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2-[3-(tert-butylcarbonyloxy)-4-methoxyphenyl]-1,3-benzoxathiole
SpectraBase Compound ID ERxfhVtRUJA
InChI InChI=1S/C19H20O4S/c1-19(2,3)18(20)23-15-11-12(9-10-13(15)21-4)17-22-14-7-5-6-8-16(14)24-17/h5-11,17H,1-4H3
InChIKey CMKXXOQIQQQAMK-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C19H20O4S
Exact Mass 344.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97Tv92yvaB3
Name 2-[3-(tert-butylcarbonyloxy)-4-methoxyphenyl]-1,3-benzoxathiole
Alternate Name(s) 5-(1,3-benzoxathiol-2-yl)-2-methoxyphenyl pivalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O4S
InChI InChI=1S/C19H20O4S/c1-19(2,3)18(20)23-15-11-12(9-10-13(15)21-4)17-22-14-7-5-6-8-16(14)24-17/h5-11,17H,1-4H3
InChIKey CMKXXOQIQQQAMK-UHFFFAOYSA-N
Molecular Weight 344.425 g/mol
SMILES C1(Oc2c(S1)cccc2)c1cc(c(cc1)OC)OC(=O)C(C)(C)C
SPLASH splash10-0006-0129000000-eb4f2f41b263ebb94ff9
Source of Spectrum KC-1993-1363-9
Wiley ID 778073