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4-(Benzylamino)-3-bromo-5-(2-oxopropyl)-2(5H)-furanone
SpectraBase Compound ID 9Z2yNszwqqm
InChI InChI=1S/C14H14BrNO3/c1-9(17)7-11-13(12(15)14(18)19-11)16-8-10-5-3-2-4-6-10/h2-6,11,16H,7-8H2,1H3
InChIKey JPWFSZHWSJZTPM-UHFFFAOYSA-N
Mol Weight 324.17 g/mol
Molecular Formula C14H14BrNO3
Exact Mass 323.015706 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FMoDOQwrLt
Name 4-(Benzylamino)-3-bromo-5-(2-oxopropyl)-2(5H)-furanone
CAS Registry Number 317326-66-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14BrNO3
InChI InChI=1S/C14H14BrNO3/c1-9(17)7-11-13(12(15)14(18)19-11)16-8-10-5-3-2-4-6-10/h2-6,11,16H,7-8H2,1H3
InChIKey JPWFSZHWSJZTPM-UHFFFAOYSA-N
Molecular Weight 324.174 g/mol
SMILES N(C1=C(C(OC1CC(=O)C)=O)Br)Cc1ccccc1
SPLASH splash10-0006-9110000000-1d465adf78d5047afbbb
Source of Spectrum AD-0-2532-0
Synonyms 2-Acetonyl-3-(benzylamino)-4-bromo-2H-furan-5-one 3-(benzylamino)-4-bromo-2-(2-oxopropyl)-2H-furan-5-one 4-Bromanyl-2-(2-oxidanylidenepropyl)-3-[(phenylmethyl)amino]-2H-furan-5-one 4-Bromo-2-(2-oxopropyl)-3-[(phenylmethyl)amino]-2H-furan-5-one Furan-2(5H)-one, 4-benzylamino-3-bromo-5-(2-oxopropyl)-
Wiley ID 1430759