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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-7-(1-hydroxyethyl)-6-methoxy-1,4a-dimethyl-, methyl ester
SpectraBase Compound ID ASQgQmGxTvd
InChI InChI=1S/C21H30O4/c1-13(22)15-11-14-7-8-18-20(2,16(14)12-17(15)24-4)9-6-10-21(18,3)19(23)25-5/h11-13,18,22H,6-10H2,1-5H3
InChIKey MSKOFRUONZZBFY-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H79gYERlRPg
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4A,9,10,10A-octahydro-7-(1-hydroxyethyl)-6-methoxy-1,4A-dimethyl-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-13(22)15-11-14-7-8-18-20(2,16(14)12-17(15)24-4)9-6-10-21(18,3)19(23)25-5/h11-13,18,22H,6-10H2,1-5H3
InChIKey MSKOFRUONZZBFY-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C12(C3=C(C=C(C(=C3)OC)C(O)C)CCC1C(C(=O)OC)(C)CCC2)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.899427