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(1S,2R,5S)-Menthyl 2-Oxophenylacetate Tosyldrazone
SpectraBase Compound ID 5IHCk5Qakdw
InChI InChI=1S/C25H32N2O4S/c1-17(2)21-14-11-19(4)15-23(21)22-7-5-6-8-24(22)31-25(16-28)26-27-32(29,30)20-12-9-18(3)10-13-20/h5-10,12-13,16-17,19,21,23,27H,11,14-15H2,1-4H3/b26-25+/t19-,21+,23-/m0/s1
InChIKey FEKWUAZTFLPCOZ-PXIFCHNXSA-N
Mol Weight 456.6 g/mol
Molecular Formula C25H32N2O4S
Exact Mass 456.208279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID MsJHftulhQ
Name (1S,2R,5S)-Menthyl 2-Oxophenylacetate Tosyldrazone
Alternate Name(s) 2-[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]phenyl (1E)-N-[(4-methylphenyl)sulfonyl]-2-oxoethanehydrazonoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32N2O4S
InChI InChI=1S/C25H32N2O4S/c1-17(2)21-14-11-19(4)15-23(21)22-7-5-6-8-24(22)31-25(16-28)26-27-32(29,30)20-12-9-18(3)10-13-20/h5-10,12-13,16-17,19,21,23,27H,11,14-15H2,1-4H3/b26-25+/t19-,21+,23-/m0/s1
InChIKey FEKWUAZTFLPCOZ-PXIFCHNXSA-N
Molecular Weight 456.601 g/mol
SMILES N(S(c1ccc(cc1)C)(=O)=O)\N=C/(Oc1c([C@@]2([C@](CC[C@@](C2)(C)[H])(C(C)C)[H])[H])cccc1)C=O
SPLASH splash10-053r-9700000000-ae8b89247e6588d8fc2f
Source of Spectrum J-60-4454-2
Wiley ID 1389287