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2-Phenanthrenol, tetradecahydro-1-(iodomethyl)-2,4b-dimethyl-, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-

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

2-Phenanthrenol, tetradecahydro-1-(iodomethyl)-2,4b-dimethyl-, [1S-(1.alpha.,2.beta.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-
SpectraBase Compound ID BIxB2wFyp8m
InChI InChI=1S/C17H29IO/c1-16-9-4-3-5-12(16)6-7-13-14(16)8-10-17(2,19)15(13)11-18/h12-15,19H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+/m1/s1
InChIKey GQVKYFSUQNAPGQ-XDKXFUCDSA-N
Mol Weight 376.32 g/mol
Molecular Formula C17H29IO
Exact Mass 376.126311 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JJgWLTm6yR1
Name 2-Phenanthrenol, tetradecahydro-1-(iodomethyl)-2,4B-dimethyl-, [1S-(1.alpha.,2.beta.,4A.beta.,4B.alpha.,8A.beta.,10A.alpha.)]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.126310553 u
Formula C17H29IO
InChI InChI=1S/C17H29IO/c1-16-9-4-3-5-12(16)6-7-13-14(16)8-10-17(2,19)15(13)11-18/h12-15,19H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,17+/m1/s1
InChIKey GQVKYFSUQNAPGQ-XDKXFUCDSA-N
Molecular Weight 376.322 g/mol
SMILES [C@]12([C@@]3([C@@](CCCC3)([H])CC[C@]1([C@](CI)([C@](CC2)(O)C)[H])[H])C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.852282