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1-(6-amino-1,3-benzodioxol-5-yl)ethanone

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1-(6-amino-1,3-benzodioxol-5-yl)ethanone
SpectraBase Compound ID 274MHrKQv5B
InChI InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3
InChIKey DWTHYSZSRJOMSC-UHFFFAOYSA-N
Mol Weight 179.17 g/mol
Molecular Formula C9H9NO3
Exact Mass 179.058243 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F6XRock4kVS
Name 6'-Amino-3',4'-(methylenedioxy)acetophenone
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 388580
CAS Registry Number 28657-75-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3
InChI InChI=1S/C9H9NO3/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8/h2-3H,4,10H2,1H3
InChIKey DWTHYSZSRJOMSC-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 1-(6-amino-1,3-benzodioxol-5-yl)ethanone 2'-Amino-4',5'-(methylenedioxy)acetophenone
Wiley ID SIAL_13CNMR_008472