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3-Butynyl 3-(di-t-butylmethylene)-2-(p-nitrophenyl)thiirane-2-carboxylate
SpectraBase Compound ID iELCXBuagQ
InChI InChI=1S/C22H27NO4S/c1-8-9-14-27-19(24)22(15-10-12-16(13-11-15)23(25)26)18(28-22)17(20(2,3)4)21(5,6)7/h1,10-13H,9,14H2,2-7H3
InChIKey ISHGXWFEFGFZOX-UHFFFAOYSA-N
Mol Weight 401.52 g/mol
Molecular Formula C22H27NO4S
Exact Mass 401.16608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LqSfePUKGmG
Name 3-Butynyl 3-(di-t-butylmethylene)-2-(p-nitrophenyl)thiirane-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H27NO4S
InChI InChI=1S/C22H27NO4S/c1-8-9-14-27-19(24)22(15-10-12-16(13-11-15)23(25)26)18(28-22)17(20(2,3)4)21(5,6)7/h1,10-13H,9,14H2,2-7H3
InChIKey ISHGXWFEFGFZOX-UHFFFAOYSA-N
Molecular Weight 401.521 g/mol
SMILES C1(C(=C(C(C)(C)C)C(C)(C)C)S1)(C(=O)OCCC#C)c1ccc(N(=O)=O)cc1
SPLASH splash10-0pc1-7009600000-57fdb93417fa0c639be5
Source of Spectrum AJ-68-1399-16
Synonyms 3-Butynyl 3-(1-tert-butyl-2,2-dimethylpropylidene)-2-(4-nitrophenyl)-2-thiiranecarboxylate
Wiley ID 773307