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1,1,7,8,12-Pentamethyl-1,2,3,4,9,10,11,12-octahydrophenanthrene

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

1,1,7,8,12-Pentamethyl-1,2,3,4,9,10,11,12-octahydrophenanthrene
SpectraBase Compound ID LXccZvBYsOq
InChI InChI=1S/C19H28/c1-13-7-9-16-15(14(13)2)8-10-17-18(3,4)11-6-12-19(16,17)5/h7,9,17H,6,8,10-12H2,1-5H3
InChIKey MGCSQJOORSMBFR-UHFFFAOYSA-N
Mol Weight 256.43 g/mol
Molecular Formula C19H28
Exact Mass 256.219101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G79wBPyzb6G
Name 1,1,7,8,12-Pentamethyl-1,2,3,4,9,10,11,12-octahydrophenanthrene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.219100902 u
Formula C19H28
InChI InChI=1S/C19H28/c1-13-7-9-16-15(14(13)2)8-10-17-18(3,4)11-6-12-19(16,17)5/h7,9,17H,6,8,10-12H2,1-5H3
InChIKey MGCSQJOORSMBFR-UHFFFAOYSA-N
Molecular Weight 256.433 g/mol
SMILES C12(C3=C(C(C)=C(C=C3)C)CCC1C(CCC2)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.800532