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2-Cyclohexen-1-one, 3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-
SpectraBase Compound ID L2RRks3hrcj
InChI InChI=1S/C15H17NO4/c17-12-3-1-2-11(7-12)16-8-13(18)10-4-5-14-15(6-10)20-9-19-14/h4-7,13,16,18H,1-3,8-9H2
InChIKey XROABOWVVVFXBW-UHFFFAOYSA-N
Mol Weight 275.3 g/mol
Molecular Formula C15H17NO4
Exact Mass 275.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6bVI51IC4xL
Name 2-Cyclohexen-1-one, 3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-
Alternate Name(s) 3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]-1-cyclohex-2-enone 3-[[2-(1,3-benzodioxol-5-yl)-2-hydroxyethyl]amino]cyclohex-2-en-1-one 3-[[2-(1,3-benzodioxol-5-yl)-2-oxidanyl-ethyl]amino]cyclohex-2-en-1-one
CAS Registry Number 62681-65-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO4
InChI InChI=1S/C15H17NO4/c17-12-3-1-2-11(7-12)16-8-13(18)10-4-5-14-15(6-10)20-9-19-14/h4-7,13,16,18H,1-3,8-9H2
InChIKey XROABOWVVVFXBW-UHFFFAOYSA-N
Molecular Weight 275.304 g/mol
SMILES N(C1=CC(=O)CCC1)CC(c1cc2OCOc2cc1)O
SPLASH splash10-05fs-0940000000-7ec223d37b9ff551c287
Source of Spectrum KC-1976-2487-0
Wiley ID 1279045