For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
cis-2-((E)-1-(Ethoxycarbonyl)butylidene)-4-(pyridine-4-yl)-3-phenyloxetane
SpectraBase Compound ID FfCh53Ofrdh
InChI InChI=1S/C21H23NO3/c1-3-8-17(21(23)24-4-2)20-18(15-9-6-5-7-10-15)19(25-20)16-11-13-22-14-12-16/h5-7,9-14,18-19H,3-4,8H2,1-2H3/b20-17+/t18-,19+/m1/s1
InChIKey MAGNVRMVHCUZRG-MZEKUVRTSA-N
Mol Weight 337.42 g/mol
Molecular Formula C21H23NO3
Exact Mass 337.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID KkFB4c8AGtK
Name cis-2-((E)-1-(Ethoxycarbonyl)butylidene)-4-(pyridine-4-yl)-3-phenyloxetane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23NO3
InChI InChI=1S/C21H23NO3/c1-3-8-17(21(23)24-4-2)20-18(15-9-6-5-7-10-15)19(25-20)16-11-13-22-14-12-16/h5-7,9-14,18-19H,3-4,8H2,1-2H3/b20-17+/t18-,19+/m1/s1
InChIKey MAGNVRMVHCUZRG-MZEKUVRTSA-N
Molecular Weight 337.419 g/mol
SMILES [C@]1(\C(=C\(CCC)C(OCC)=O)O[C@]1(c1ccncc1)[H])(c1ccccc1)[H]
SPLASH splash10-001r-9904000000-023963eaa65229e165aa
Source of Spectrum ACI-53-SMS38-cis_4la
Synonyms Ethyl (E)-2-((3R,4R)-3-phenyl-4-(pyridin-4-yl)oxetan-2-ylidene)pentanoate
Wiley ID 1782090