SpectraBase Spectrum ID |
62L4ub5ubTS |
Name |
bis(Cyclopentane), 2,2'-acetoxy)-, 1-rel-2-(trans)-2'-(cis)-1'-(trans)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
254.151809184 u |
Formula |
C14H22O4 |
InChI |
InChI=1S/C14H22O4/c1-9(15)17-13-7-3-5-11(13)12-6-4-8-14(12)18-10(2)16/h11-14H,3-8H2,1-2H3 |
InChIKey |
OMRWVRFJZURSNO-UHFFFAOYSA-N |
Molecular Weight |
254.326 g/mol |
SMILES |
C(=O)(OC1CCCC1C1C(OC(=O)C)CCC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.833121 |