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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-pentyl-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID DwKQAclNuB9
InChI InChI=1S/C22H31N3O8/c1-6-7-8-9-18-11-25(24-23-18)19-10-17(12-30-13(2)26)20(31-14(3)27)22(33-16(5)29)21(19)32-15(4)28/h10-11,19-22H,6-9,12H2,1-5H3/t19-,20+,21-,22-/m0/s1
InChIKey RISBWSAKMODLMK-LRSLUSHPSA-N
Mol Weight 465.5 g/mol
Molecular Formula C22H31N3O8
Exact Mass 465.211115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fn24ebBiJ3f
Name (1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-pentyl-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N3O8
InChI InChI=1S/C22H31N3O8/c1-6-7-8-9-18-11-25(24-23-18)19-10-17(12-30-13(2)26)20(31-14(3)27)22(33-16(5)29)21(19)32-15(4)28/h10-11,19-22H,6-9,12H2,1-5H3/t19-,20+,21-,22-/m0/s1
InChIKey RISBWSAKMODLMK-LRSLUSHPSA-N
Molecular Weight 465.503 g/mol
SMILES [C@]1([n]2nnc(c2)CCCCC)([C@@]([C@@](OC(=O)C)([C@@](C(=C1)COC(=O)C)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H]
SPLASH splash10-01bc-4900000000-d5243232684bcf1e4936
Source of Spectrum U1-2014-3632-14h
Wiley ID 1740704