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3-[3-N-Benzylamino)propyl]-2-[2'-(2-mesyloxy)ethyl)-4',5'-(methylenedioxy)phenyl]-2-cyclopenten-1-one
SpectraBase Compound ID Ag8V3wv3aT0
InChI InChI=1S/C25H29NO6S/c1-33(28,29)32-13-11-20-14-23-24(31-17-30-23)15-21(20)25-19(9-10-22(25)27)8-5-12-26-16-18-6-3-2-4-7-18/h2-4,6-7,14-15,26H,5,8-13,16-17H2,1H3
InChIKey AKMFWAHLTWCQOT-UHFFFAOYSA-N
Mol Weight 471.57 g/mol
Molecular Formula C25H29NO6S
Exact Mass 471.171559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KT8xCuPyts1
Name 3-[3-N-Benzylamino)propyl]-2-[2'-(2-mesyloxy)ethyl)-4',5'-(methylenedioxy)phenyl]-2-cyclopenten-1-one
Alternate Name(s) 2-(6-{2-[3-(benzylamino)propyl]-5-oxo-1-cyclopenten-1-yl}-1,3-benzodioxol-5-yl)ethyl methanesulfonate Methanesulfonic acid 2-[6-[5-oxo-2-[3-[(phenylmethyl)amino]propyl]-1-cyclopentenyl]-1,3-benzodioxol-5-yl]ethyl ester 2-[6-[2-[3-(benzylamino)propyl]-5-oxocyclopenten-1-yl]-1,3-benzodioxol-5-yl]ethyl methanesulfonate 2-[6-[2-[3-(benzylamino)propyl]-5-oxo-cyclopenten-1-yl]-1,3-benzodioxol-5-yl]ethyl methanesulfonate 2-[6-[5-oxidanylidene-2-[3-[(phenylmethyl)amino]propyl]cyclopenten-1-yl]-1,3-benzodioxol-5-yl]ethyl methanesulfonate
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Formula C25H29NO6S
InChI InChI=1S/C25H29NO6S/c1-33(28,29)32-13-11-20-14-23-24(31-17-30-23)15-21(20)25-19(9-10-22(25)27)8-5-12-26-16-18-6-3-2-4-7-18/h2-4,6-7,14-15,26H,5,8-13,16-17H2,1H3
InChIKey AKMFWAHLTWCQOT-UHFFFAOYSA-N
Molecular Weight 471.568 g/mol
SMILES N(CCCC1=C(c2cc3OCOc3cc2CCOS(=O)(=O)C)C(CC1)=O)Cc1ccccc1
SPLASH splash10-03fr-0945000000-03ca95b300d6553e6784
Source of Spectrum J-61-7346-35
Wiley ID 1393114