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 |