| SpectraBase Spectrum ID |
6UwCa2QPoMm |
| Name |
Methyl 1,2,3,4-tetrahydro-2-(3',4'-dimethoxybenzyl)-3-oxonaphthalene-2-carboxylate |
| Alternate Name(s) |
methyl 2-(3,4-dimethoxybenzyl)-3-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22O5 |
| InChI |
InChI=1S/C21H22O5/c1-24-17-9-8-14(10-18(17)25-2)12-21(20(23)26-3)13-16-7-5-4-6-15(16)11-19(21)22/h4-10H,11-13H2,1-3H3 |
| InChIKey |
HJSQBWNXLQBBEH-UHFFFAOYSA-N |
| Molecular Weight |
354.402 g/mol |
| SMILES |
C1(C(Cc2c(C1)cccc2)=O)(C(=O)OC)Cc1cc(OC)c(cc1)OC |
| SPLASH |
splash10-0udi-0901000000-ca80eee390d6e1a3a991 |
| Source of Spectrum |
H1-45-2144-2 |
| Wiley ID |
815939 |
