SpectraBase Spectrum ID |
1wOxKDnlAXI |
Name |
Hex-(3E)-enyl acetate |
CAS Registry Number |
3681-82-1 |
Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
Exact Mass |
142.099379689 u |
Formula |
C8H14O2 |
InChI |
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h4-5H,3,6-7H2,1-2H3/b5-4+ |
InChIKey |
NPFVOOAXDOBMCE-SNAWJCMRSA-N |
Molecular Weight |
142.198 g/mol |
Number of Peaks |
50 |
RI1 |
1001 |
RI2 |
674 |
RI3 |
712 |
RI4 |
668 |
SMILES |
CC\C=C\CCOC(=O)C |
SPLASH |
splash10-00kf-9000000000-1e8796a86d9428936686 |
Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
Synonyms |
3-Hexen-1-ol, 1-acetate, (3E)- |
Wiley ID |
LM_FFNSC3_1995 |