| SpectraBase Spectrum ID |
IeMeVB20Tgq |
| Name |
Benzyl 1,1-diethoxycarbonyl-7-methoxy-1,9,10,10A-tetrahydrophenanthrene-2-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.199153299 u |
| Formula |
C29H30O7 |
| InChI |
InChI=1S/C29H30O7/c1-4-34-27(31)29(28(32)35-5-2)24-15-11-20-17-21(33-3)12-13-22(20)23(24)14-16-25(29)26(30)36-18-19-9-7-6-8-10-19/h6-10,12-14,16-17,24H,4-5,11,15,18H2,1-3H3 |
| InChIKey |
LWXUKSWTIFTRFN-UHFFFAOYSA-N |
| Molecular Weight |
490.552 g/mol |
| SMILES |
C1(C2C(C=3C=CC(=CC3CC2)OC)=CC=C1C(OCC=1C=CC=CC1)=O)(C(=O)OCC)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898143 |
