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trans-N-p-Toluenesulfonyl-5-isopropyl-4-[1-(5-methyl-1,3-hexadien-2-yl)vinyl]-2-oxazolidinone
SpectraBase Compound ID E9UQA7NK4b6
InChI InChI=1S/C22H29NO4S/c1-14(2)8-11-17(6)18(7)20-21(15(3)4)27-22(24)23(20)28(25,26)19-12-9-16(5)10-13-19/h8-15,20-21H,6-7H2,1-5H3/b11-8+/t20-,21-/m1/s1
InChIKey WPMIZQHCYOKSJH-AZHXHMFBSA-N
Mol Weight 403.54 g/mol
Molecular Formula C22H29NO4S
Exact Mass 403.18173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyGV0ft9gMf
Name trans-N-p-Toluenesulfonyl-5-isopropyl-4-[1-(5-methyl-1,3-hexadien-2-yl)vinyl]-2-oxazolidinone
Alternate Name(s) (4R,5R)-5-isopropyl-4-[(3E)-5-methyl-1,2-dimethylene-3-hexenyl]-3-[(4-methylphenyl)sulfonyl]-1,3-oxazolidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H29NO4S
InChI InChI=1S/C22H29NO4S/c1-14(2)8-11-17(6)18(7)20-21(15(3)4)27-22(24)23(20)28(25,26)19-12-9-16(5)10-13-19/h8-15,20-21H,6-7H2,1-5H3/b11-8+/t20-,21-/m1/s1
InChIKey WPMIZQHCYOKSJH-AZHXHMFBSA-N
Molecular Weight 403.537 g/mol
SMILES c1(S(N2C(O[C@@]([C@]2(C(C(\C=C\C(C)C)=C)=C)[H])(C(C)C)[H])=O)(=O)=O)ccc(cc1)C
SPLASH splash10-0ff0-4490600000-bca081bdd60d860ab703
Source of Spectrum J-60-3771-4
Wiley ID 1370879