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1,6-ANHYDRO-4-(3,4-METHYLENEDIOXYPHENYLMETHYLAMINO)-2-O-TOSYL-4-DEOXY-
SpectraBase Compound ID In5fstAeLos
InChI InChI=1S/C21H23NO8S/c1-12-2-5-14(6-3-12)31(24,25)30-20-19(23)18(17-10-26-21(20)29-17)22-9-13-4-7-15-16(8-13)28-11-27-15/h2-8,17-23H,9-11H2,1H3/t17-,18?,19?,20-,21-/m1/s1
InChIKey LVQQCZPHBHIXKT-NMBAIYOOSA-N
Mol Weight 449.47 g/mol
Molecular Formula C21H23NO8S
Exact Mass 449.114438 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5xx9EwEbv2j
Name 1,6-ANHYDRO-4-(3,4-METHYLENEDIOXYPHENYLMETHYLAMINO)-2-O-TOSYL-4-DEOXY-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H23NO8S
InChI InChI=1S/C21H23NO8S/c1-12-2-5-14(6-3-12)31(24,25)30-20-19(23)18(17-10-26-21(20)29-17)22-9-13-4-7-15-16(8-13)28-11-27-15/h2-8,17-23H,9-11H2,1H3/t17-,18?,19?,20-,21-/m1/s1
InChIKey LVQQCZPHBHIXKT-NMBAIYOOSA-N
Molecular Weight 449.1138
SMILES N(C1C(O)[C@]([C@@]2(OC[C@]1(O2)[H])[H])(OS(c1ccc(C)cc1)(=O)=O)[H])Cc1ccc2OCOc2c1
SPLASH splash10-000i-7900000000-593759bdad50067da96f
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany