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2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, monomethyl ether, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-

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

2,6-Phenanthrenediol, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-, monomethyl ether, [2S-(2.alpha.,4a.alpha.,10a.beta.)]-
SpectraBase Compound ID 7VcLLjzZMMZ
InChI InChI=1S/C21H32O2/c1-13(2)15-11-14-7-8-18-20(3,4)19(23-6)9-10-21(18,5)16(14)12-17(15)22/h11-13,18-19,22H,7-10H2,1-6H3/t18-,19-,21+/m0/s1
InChIKey QWZDZALGTZBQOA-IRFCIJBXSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IlkLoVIbFmp
Name 2,6-Phenanthrenediol, 1,2,3,4,4A,9,10,10A-octahydro-1,1,4A-trimethyl-7-(1-methylethyl)-, monomethyl ether, [2S-(2.alpha.,4A.alpha.,10A.beta.)]-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-13(2)15-11-14-7-8-18-20(3,4)19(23-6)9-10-21(18,5)16(14)12-17(15)22/h11-13,18-19,22H,7-10H2,1-6H3/t18-,19-,21+/m0/s1
InChIKey QWZDZALGTZBQOA-IRFCIJBXSA-N
Molecular Weight 316.485 g/mol
SMILES [C@]12(C3=C(C=C(C(=C3)O)C(C)C)CC[C@]1(C(C)(C)[C@](CC2)(OC)[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.931399