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Dimethyl (Z)-2{exo-Bornylthiomethyl}-2-butenedioate
SpectraBase Compound ID 2ofWWoGVHOt
InChI InChI=1S/C17H26O4S/c1-16(2)12-6-7-17(16,3)13(9-12)22-10-11(15(19)21-5)8-14(18)20-4/h8,12-13H,6-7,9-10H2,1-5H3/b11-8+/t12-,13?,17+/m0/s1
InChIKey BTUXIARYWYHERZ-TZHJZPTKSA-N
Mol Weight 326.45 g/mol
Molecular Formula C17H26O4S
Exact Mass 326.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzV6vbHXl1m
Name Dimethyl (Z)-2{exo-Bornylthiomethyl}-2-butenedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4S
InChI InChI=1S/C17H26O4S/c1-16(2)12-6-7-17(16,3)13(9-12)22-10-11(15(19)21-5)8-14(18)20-4/h8,12-13H,6-7,9-10H2,1-5H3/b11-8+/t12-,13?,17+/m0/s1
InChIKey BTUXIARYWYHERZ-TZHJZPTKSA-N
Molecular Weight 326.451 g/mol
SMILES [C@@]12(C([C@@](CC2)(CC1SC\C(=C/C(=O)OC)C(=O)OC)[H])(C)C)C
SPLASH splash10-00m3-9200000000-684e27931266076328e6
Source of Spectrum F-52-1043-9
Synonyms Dimethyl (2Z)-2-{[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)sulfanyl]methyl}-2-butenedioate Dimethyl (E)-2{(1S)-exo]Bornylthiomethyl}-2-butenedioate
Wiley ID 794692