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E-10-Dicyclohexylsulfamoyl-D-isobornyl 4-Hydroxyhept-2-enoate
SpectraBase Compound ID 9dV5iHjQNNJ
InChI InChI=1S/C29H49NO5S/c1-4-11-25(31)16-17-27(32)35-26-20-22-18-19-29(26,28(22,2)3)21-36(33,34)30(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h16-17,22-26,31H,4-15,18-21H2,1-3H3/b17-16+/t22-,25?,26-,29-/m1/s1
InChIKey QJHFUTXCBSGSKN-JFQLUXKSSA-N
Mol Weight 523.8 g/mol
Molecular Formula C29H49NO5S
Exact Mass 523.333145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GoYIlAGImz
Name E-10-Dicyclohexylsulfamoyl-D-isobornyl 4-Hydroxyhept-2-enoate
Alternate Name(s) 1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl (2E)-4-hydroxy-2-heptenoate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49NO5S
InChI InChI=1S/C29H49NO5S/c1-4-11-25(31)16-17-27(32)35-26-20-22-18-19-29(26,28(22,2)3)21-36(33,34)30(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h16-17,22-26,31H,4-15,18-21H2,1-3H3/b17-16+/t22-,25?,26-,29-/m1/s1
InChIKey QJHFUTXCBSGSKN-JFQLUXKSSA-N
Molecular Weight 523.773 g/mol
SMILES OC(\C=C\C(O[C@]1([C@@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@](CC2)(C1)[H])(C)C)[H])=O)CCC
SPLASH splash10-004i-0900000000-636c38271ab2d7923c04
Source of Spectrum F-47-6614-10
Wiley ID 1402404