| SpectraBase Spectrum ID |
6Qr9ClXe3bi |
| Name |
2-(Phenylthio)ethyl 7-(benzo[d][1,3]dioxol-5-yloxy)heptanoate |
| Appearance |
Colorless oil |
| Carrier Gas |
Argon |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.150095106 u |
| Formula |
C22H26O5S |
| GC Column |
HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C22H26O5S/c23-22(25-14-15-28-19-8-4-3-5-9-19)10-6-1-2-7-13-24-18-11-12-20-21(16-18)27-17-26-20/h3-5,8-9,11-12,16H,1-2,6-7,10,13-15,17H2 |
| InChIKey |
PJEIALGZJSQWDP-UHFFFAOYSA-N |
| Instrument Name |
Agilent HP-7890A-AMD 402 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202211939 |
| Molecular Weight |
402.505 g/mol |
| Quality |
153 |
| Reported Formula |
C22H26O5S |
| SMILES |
C1(=CC=CC=C1)SCCOC(CCCCCCOC=1C=CC2=C(OCO2)C1)=O |
| SPLASH |
splash10-0f79-1900300000-7bf09b719fad9c33c75b |
| Source of Spectrum |
ACI-61-SM51-74 (DOI: 10.1002/anie.202211939) |
| Wiley ID |
1899583 |
![2-(Phenylthio)ethyl 7-(benzo[d][1,3]dioxol-5-yloxy)heptanoate](/api/spectrum/6Qr9ClXe3bi/structure.png?h=300&w=458 "2-(Phenylthio)ethyl 7-(benzo[d][1,3]dioxol-5-yloxy)heptanoate")
