| SpectraBase Spectrum ID |
EEQcdzIxzAr |
| Name |
cis,Trans-1-methoxycarbonyl-2-p-methylphen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
436.152203106 u |
| Formula |
C25H24O7 |
| InChI |
InChI=1S/C25H24O7/c1-14-10-12-15(13-11-14)17-18(20(26)16-8-6-5-7-9-16)25(19(17)21(27)30-4)22(28)31-24(2,3)32-23(25)29/h5-13,17-19H,1-4H3/t17-,18+,19+/m0/s1 |
| InChIKey |
UEVWXHVMHKJYKB-IPMKNSEASA-N |
| Molecular Weight |
436.460 g/mol |
| SMILES |
[C@]1([C@]([C@@](C11C(OC(OC1=O)(C)C)=O)(C(C=1C=CC=CC1)=O)[H])(C=1C=CC(=CC1)C)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87588 |
![cis,Trans-1-methoxycarbonyl-2-p-methylphen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione](/api/spectrum/EEQcdzIxzAr/structure.png?h=300&w=458 "cis,Trans-1-methoxycarbonyl-2-p-methylphen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione")
