| SpectraBase Spectrum ID |
51ZO906DKvp |
| Name |
cis,Trans-1-methoxycarbonyl-2-m-bromophen-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 |
500.047066009 u |
| Formula |
C24H21BrO7 |
| InChI |
InChI=1S/C24H21BrO7/c1-23(2)31-21(28)24(22(29)32-23)17(19(26)13-8-5-4-6-9-13)16(18(24)20(27)30-3)14-10-7-11-15(25)12-14/h4-12,16-18H,1-3H3/t16-,17+,18+/m0/s1 |
| InChIKey |
GOSUUHUFFVJNIS-RCCFBDPRSA-N |
| Molecular Weight |
501.329 g/mol |
| SMILES |
[C@]1([C@]([C@@](C11C(OC(OC1=O)(C)C)=O)(C(C=1C=CC=CC1)=O)[H])(C=1C=CC=C(C1)Br)[H])(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87927 |
![cis,Trans-1-methoxycarbonyl-2-m-bromophen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione](/api/spectrum/51ZO906DKvp/structure.png?h=300&w=458 "cis,Trans-1-methoxycarbonyl-2-m-bromophen-yl-3-benzoyl-7,7-dimethyl-6,8-dioxaspiro[3,5]nona-5,9-dione")
