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3a,4,5,6,7,7a-Hexahydro-3,6,6-trimethyl-4-methylidene-1-benzofuran

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3a,4,5,6,7,7a-Hexahydro-3,6,6-trimethyl-4-methylidene-1-benzofuran
SpectraBase Compound ID 8zKP1AdhTyl
InChI InChI=1S/C12H18O/c1-8-5-12(3,4)6-10-11(8)9(2)7-13-10/h7,10-11H,1,5-6H2,2-4H3
InChIKey QZBSJDQTFBMQOS-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DCQbAPAy4cT
Name 3A,4,5,6,7,7A-Hexahydro-3,6,6-trimethyl-4-methylidene-1-benzofuran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-8-5-12(3,4)6-10-11(8)9(2)7-13-10/h7,10-11H,1,5-6H2,2-4H3
InChIKey QZBSJDQTFBMQOS-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C=1OC2C(C1C)C(CC(C2)(C)C)=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.850397