SpectraBase Spectrum ID |
7n2bcdz0O0U |
Name |
Tricyclo[5.3.0.0(2,6)]dec-3-ene-8-bromo-5,10-dioxobis(ethylene ketal)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
328.031022023 u |
Formula |
C14H17BrO4 |
InChI |
InChI=1S/C14H17BrO4/c15-10-7-9-11-8(1-2-13(11)16-3-4-17-13)12(9)14(10)18-5-6-19-14/h1-2,8-12H,3-7H2 |
InChIKey |
IHYFGWGBDFEVFQ-UHFFFAOYSA-N |
Molecular Weight |
329.190 g/mol |
SMILES |
C1OC2(C=CC3C2C2CC(C4(C32)OCCO4)Br)OC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846895 |