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10-Dicyclohexylsulphamoyl-isobornyl-2'(R)-acetoxypent-4-enoate
SpectraBase Compound ID 5NBLnFNhwLT
InChI InChI=1S/C29H47NO6S/c1-5-12-25(35-21(2)31)27(32)36-26-19-22-17-18-29(26,28(22,3)4)20-37(33,34)30(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h5,22-26H,1,6-20H2,2-4H3/t22-,25+,26-,29-/m0/s1
InChIKey IAMPHYOFQBMGTF-PQOWZJEGSA-N
Mol Weight 537.8 g/mol
Molecular Formula C29H47NO6S
Exact Mass 537.312409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cc1MuuV5sqJ
Name 10-Dicyclohexylsulphamoyl-isobornyl-2'(R)-acetoxypent-4-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H47NO6S
InChI InChI=1S/C29H47NO6S/c1-5-12-25(35-21(2)31)27(32)36-26-19-22-17-18-29(26,28(22,3)4)20-37(33,34)30(23-13-8-6-9-14-23)24-15-10-7-11-16-24/h5,22-26H,1,6-20H2,2-4H3/t22-,25+,26-,29-/m0/s1
InChIKey IAMPHYOFQBMGTF-PQOWZJEGSA-N
Molecular Weight 537.756 g/mol
SMILES C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@](CC2)(C[C@@]1(OC([C@](OC(=O)C)(CC=C)[H])=O)[H])[H])(C)C
SPLASH splash10-000e-0390010000-4c02bf71a418221e8574
Source of Spectrum QC-10-2109-15
Synonyms 1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl (2R)-2-(acetyloxy)-4-pentenoate 10-Dicyclohexylsulphamoyl-(2R)-isobornyl-2'(S)-acetoxypent-4-enoate 10-Dicyclohexylsulphamoyl-isobornyl-2'(S)-acetoxypent-4-enoate
Wiley ID 871387