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(6-ETHYLSULFANYL-3-OXO-2-OXABICYCLO[3.3.1]NON-7-YL)ACETIC ACID, METHYL ESTER
SpectraBase Compound ID 6MTUQvnUGZs
InChI InChI=1S/C13H20O4S/c1-3-18-13-8(6-11(14)16-2)4-10-5-9(13)7-12(15)17-10/h8-10,13H,3-7H2,1-2H3/t8?,9-,10+,13?/m0/s1
InChIKey HWPAHVRFZSJCRN-CABQIACGSA-N
Mol Weight 272.36 g/mol
Molecular Formula C13H20O4S
Exact Mass 272.10823 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59YrrBNSNp5
Name (6-ETHYLSULFANYL-3-OXO-2-OXABICYCLO[3.3.1]NON-7-YL)ACETIC ACID, METHYL ESTER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H20O4S
InChI InChI=1S/C13H20O4S/c1-3-18-13-8(6-11(14)16-2)4-10-5-9(13)7-12(15)17-10/h8-10,13H,3-7H2,1-2H3/t8?,9-,10+,13?/m0/s1
InChIKey HWPAHVRFZSJCRN-CABQIACGSA-N
Molecular Weight 272.1077
SMILES [C@]12(CC(CC(OC)=O)C(SCC)[C@](CC(=O)O2)(C1)[H])[H]
SPLASH splash10-0uml-8910000000-e573d67c820f68135f1c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany