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2-cyano-2,6,6-trimethyl-4,5,6,7-tetrahydrobenzo[1,3]dioxole-4-one
SpectraBase Compound ID HsZAQQQSJiL
InChI InChI=1S/C11H13NO3/c1-10(2)4-7(13)9-8(5-10)14-11(3,6-12)15-9/h4-5H2,1-3H3
InChIKey RLFXVKYIFAJLSC-UHFFFAOYSA-N
Mol Weight 207.23 g/mol
Molecular Formula C11H13NO3
Exact Mass 207.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZGlq8p1LiG
Name 2-cyano-2,6,6-trimethyl-4,5,6,7-tetrahydrobenzo[1,3]dioxole-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13NO3
InChI InChI=1S/C11H13NO3/c1-10(2)4-7(13)9-8(5-10)14-11(3,6-12)15-9/h4-5H2,1-3H3
InChIKey RLFXVKYIFAJLSC-UHFFFAOYSA-N
Molecular Weight 207.229 g/mol
SMILES C12=C(OC(O2)(C#N)C)CC(CC1=O)(C)C
SPLASH splash10-0uxr-1920000000-57683d5a5e80f5ecaca9
Source of Spectrum H1-48-883-31
Synonyms 2,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1,3-benzodioxole-2-carbonitrile 2-Cyano-2,6,6-trimethyl-4,5,6,7-tetrahydrobenzoxazol-4-one
Wiley ID 816288