| SpectraBase Spectrum ID |
Gau6aUtoZCp |
| Name |
1A-(Fluoranylmethyl)-7A-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-B]oxirene-2,7-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
484.335273469 u |
| Formula |
C31H45FO3 |
| InChI |
InChI=1S/C31H45FO3/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-30-28(33)26-17-6-7-18-27(26)29(34)31(30,21-32)35-30/h6-7,17-19,22-24H,8-16,20-21H2,1-5H3/b25-19+ |
| InChIKey |
IOBYLHHKZAVEDW-NCELDCMTSA-N |
| Molecular Weight |
484.696 g/mol |
| SMILES |
C12(C(C(=O)C3=C(C2=O)C=CC=C3)(C\C=C\(CCCC(CCCC(CCCC(C)C)C)C)C)O1)CF |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96345 |
![1a-(fluoranylmethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione](/api/spectrum/Gau6aUtoZCp/structure.png?h=300&w=458 "1a-(fluoranylmethyl)-7a-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione")
