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2(3H)-Benzofuranone, 3a,4,5,6-tetrahydro-3a,6,6-trimethyl-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2(3H)-Benzofuranone, 3a,4,5,6-tetrahydro-3a,6,6-trimethyl-
SpectraBase Compound ID DAotNxvrFr5
InChI InChI=1S/C11H16O2/c1-10(2)4-5-11(3)7-9(12)13-8(11)6-10/h6H,4-5,7H2,1-3H3
InChIKey NCBAGYYDKGFEFQ-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 42KE8SEJX8t
Name 2(3H)-Benzofuranone, 3A,4,5,6-tetrahydro-3A,6,6-trimethyl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.115029753 u
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-10(2)4-5-11(3)7-9(12)13-8(11)6-10/h6H,4-5,7H2,1-3H3
InChIKey NCBAGYYDKGFEFQ-UHFFFAOYSA-N
Molecular Weight 180.247 g/mol
SMILES CC12C(=CC(CC2)(C)C)OC(C1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.812449