| SpectraBase Spectrum ID |
IAC40HJ8TF6 |
| Name |
trans-3-(4-tert-Butylphenyl)-4,5-dihydro-4-phenyl-5-isoxazolecarboxylic acid ethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H25NO3 |
| InChI |
InChI=1S/C22H25NO3/c1-5-25-21(24)20-18(15-9-7-6-8-10-15)19(23-26-20)16-11-13-17(14-12-16)22(2,3)4/h6-14,18,20H,5H2,1-4H3/t18-,20-/m1/s1 |
| InChIKey |
KAQKAHGMFCPPQJ-UYAOXDASSA-N |
| Instrument Name |
VG Micromass 7070F or AEI MS-30 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0002.c05 |
| Molecular Weight |
351.446 g/mol |
| Quality |
76 |
| SMILES |
[C@]1([C@@](C(=NO1)C1=CC=C(C=C1)C(C)(C)C)(C1=CC=CC=C1)[H])(C(OCC)=O)[H] |
| SPLASH |
splash10-004i-3293000000-7258cf3ff94d3a442fd9 |
| Source of Spectrum |
ARK-2001-42-6c, (+ or -)-6c (DOI: 10.3998/ark.5550190.0002.c05) |
| Wiley ID |
1908669 |
