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3-{4-[2-(6-Bromobenzo[1,3]dioxol-5-yl)ethylamino]butyl}cyclopent-2-enyl acetate
SpectraBase Compound ID CJXMMdQYxpn
InChI InChI=1S/C20H26BrNO4/c1-14(23)26-17-6-5-15(10-17)4-2-3-8-22-9-7-16-11-19-20(12-18(16)21)25-13-24-19/h10-12,17,22H,2-9,13H2,1H3
InChIKey BTDPUTHMDPPSIG-UHFFFAOYSA-N
Mol Weight 424.34 g/mol
Molecular Formula C20H26BrNO4
Exact Mass 423.104521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7sk5qnJIwDW
Name 3-{4-[2-(6-Bromobenzo[1,3]dioxol-5-yl)ethylamino]butyl}cyclopent-2-enyl acetate
Alternate Name(s) 3-(4-{[2-(6-bromo-1,3-benzodioxol-5-yl)ethyl]amino}butyl)-2-cyclopenten-1-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26BrNO4
InChI InChI=1S/C20H26BrNO4/c1-14(23)26-17-6-5-15(10-17)4-2-3-8-22-9-7-16-11-19-20(12-18(16)21)25-13-24-19/h10-12,17,22H,2-9,13H2,1H3
InChIKey BTDPUTHMDPPSIG-UHFFFAOYSA-N
Molecular Weight 424.335 g/mol
SMILES N(CCc1cc2c(cc1Br)OCO2)CCCCC1=CC(OC(=O)C)CC1
SPLASH splash10-0udi-0911000000-06852d539418e18796e1
Source of Spectrum QE-6-514-12
Wiley ID 844557