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Acetonitrile, (1,3-benzodioxol-5-yloxy)-
SpectraBase Compound ID 2Q1Lv0qq5VK
InChI InChI=1S/C9H7NO3/c10-3-4-11-7-1-2-8-9(5-7)13-6-12-8/h1-2,5H,4,6H2
InChIKey QOEUHSPBSQPZEB-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C9H7NO3
Exact Mass 177.042593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IOABs2JpkYG
Name Acetonitrile, (1,3-benzodioxol-5-yloxy)-
Alternate Name(s) (1,3-benzodioxol-5-yloxy)acetonitrile 2-(1,3-benzodioxol-5-yloxy)acetonitrile 2-(1,3-benzodioxol-5-yloxy)ethanenitrile
CAS Registry Number 72955-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO3
InChI InChI=1S/C9H7NO3/c10-3-4-11-7-1-2-8-9(5-7)13-6-12-8/h1-2,5H,4,6H2
InChIKey QOEUHSPBSQPZEB-UHFFFAOYSA-N
Molecular Weight 177.159 g/mol
SMILES c1cc2c(cc1OCC#N)OCO2
SPLASH splash10-000i-0900000000-7ddc8d10f87de3a2201c
Source of Spectrum B-37-134-0
Wiley ID 1173065