| SpectraBase Spectrum ID |
JsqpZVYimUf |
| Name |
Dimethyl 1-butyl-1,2,3,4-tetrahydro-1-methyl-2,3-naphthalenedicarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.183109313 u |
| Formula |
C19H26O4 |
| InChI |
InChI=1S/C19H26O4/c1-5-6-11-19(2)15-10-8-7-9-13(15)12-14(17(20)22-3)16(19)18(21)23-4/h7-10,14,16H,5-6,11-12H2,1-4H3/t14-,16-,19+/m0/s1 |
| InChIKey |
IHMDDJSVPVZLDK-URLQWDBASA-N |
| Molecular Weight |
318.413 g/mol |
| SMILES |
[C@]1([C@@]([C@](CC2=C1C=CC=C2)(C(=O)OC)[H])(C(=O)OC)[H])(CCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808665 |
