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3,3'-Bi-p-menthane

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3,3'-Bi-p-menthane
SpectraBase Compound ID 4XIqx7QEOgc
InChI InChI=1S/C20H38/c1-13(2)17-9-7-15(5)11-19(17)20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKey KECQQXKCBPXWMM-UHFFFAOYSA-N
Mol Weight 278.5 g/mol
Molecular Formula C20H38
Exact Mass 278.297351 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7u2k7WYmMVN
Name 3,3'-bi-p-Menthane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 278.297351224 u
Formula C20H38
InChI InChI=1S/C20H38/c1-13(2)17-9-7-15(5)11-19(17)20-12-16(6)8-10-18(20)14(3)4/h13-20H,7-12H2,1-6H3
InChIKey KECQQXKCBPXWMM-UHFFFAOYSA-N
Molecular Weight 278.524 g/mol
SMILES CC(C)C1C(CC(CC1)C)C1C(C(C)C)CCC(C1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.965466