| SpectraBase Spectrum ID |
LxO4U9pPP4x |
| Name |
(3,4-dihydro-2H-pyran-2-yl)methyl 4-chlorobenzoate |
| Appearance |
Colourless oil |
| Carrier Gas |
Helium (1.4 ml/min) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.055321976 u |
| Formula |
C13H13ClO3 |
| GC Column |
Macherey-Nagel Optima delta-3 (20 m x 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 280oC |
| InChI |
InChI=1S/C13H13ClO3/c14-11-6-4-10(5-7-11)13(15)17-9-12-3-1-2-8-16-12/h2,4-8,12H,1,3,9H2 |
| InChIKey |
UKDVDBFSKIKXOV-UHFFFAOYSA-N |
| Inlet Type |
Split |
| Instrument Name |
Finnigan Trace GC/MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.201604950 |
| Molecular Weight |
252.697 g/mol |
| Quality |
213 |
| Reported Formula |
C13H13O3(35)Cl |
| SMILES |
C1(OC=CCC1)COC(C1=CC=C(C=C1)Cl)=O |
| SPLASH |
splash10-01pa-3900000000-1238af018b2d7331ec5d |
| Source of Spectrum |
ACI-55-SM18-S6 (DOI: 10.1002/anie.201604950) |
| Wiley ID |
1899237 |
