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(1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-phenyl-1H-1,2,3-triazol-1-yl)cyclohex-4-ene-1,2,3-triyl Triacetate
SpectraBase Compound ID 1IVV7o5QyG2
InChI InChI=1S/C23H25N3O8/c1-13(27)31-12-18-10-20(26-11-19(24-25-26)17-8-6-5-7-9-17)22(33-15(3)29)23(34-16(4)30)21(18)32-14(2)28/h5-11,20-23H,12H2,1-4H3/t20-,21+,22-,23-/m0/s1
InChIKey LKDCAYBPNNWSPE-BJESRGMDSA-N
Mol Weight 471.47 g/mol
Molecular Formula C23H25N3O8
Exact Mass 471.164165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxRkOlPxoBb
Name (1S,2S,3R,6S)-4-(Acetoxymethyl)-6-(4-phenyl-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 C23H25N3O8
InChI InChI=1S/C23H25N3O8/c1-13(27)31-12-18-10-20(26-11-19(24-25-26)17-8-6-5-7-9-17)22(33-15(3)29)23(34-16(4)30)21(18)32-14(2)28/h5-11,20-23H,12H2,1-4H3/t20-,21+,22-,23-/m0/s1
InChIKey LKDCAYBPNNWSPE-BJESRGMDSA-N
Molecular Weight 471.466 g/mol
SMILES c1(nn[n](c1)[C@@]1([C@@]([C@@](OC(=O)C)([C@@](C(=C1)COC(=O)C)(OC(=O)C)[H])[H])(OC(=O)C)[H])[H])-c1ccccc1
SPLASH splash10-014l-3900000000-aeb00c2c87cb9001c036
Source of Spectrum U1-2014-3631-14a
Wiley ID 1740711