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

*Links on SpectraBase are not permalinks.
(4R,5R,E)-Ethyl 5-(hydroxymethyl)-4-(nitromethyl) hept-2-enoate
SpectraBase Compound ID 9vdFogbcX0e
InChI InChI=1S/C11H19NO5/c1-3-9(8-13)10(7-12(15)16)5-6-11(14)17-4-2/h5-6,9-10,13H,3-4,7-8H2,1-2H3/b6-5+/t9-,10-/m0/s1
InChIKey WREUTGSGZCAOJU-QEBMPYFUSA-N
Mol Weight 245.27 g/mol
Molecular Formula C11H19NO5
Exact Mass 245.126323 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 5kxP8h5aP3Y
Name (4R,5R,E)-Ethyl 5-(hydroxymethyl)-4-(nitromethyl) hept-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19NO5
InChI InChI=1S/C11H19NO5/c1-3-9(8-13)10(7-12(15)16)5-6-11(14)17-4-2/h5-6,9-10,13H,3-4,7-8H2,1-2H3/b6-5+/t9-,10-/m0/s1
InChIKey WREUTGSGZCAOJU-QEBMPYFUSA-N
Literature Reference DOI 10.1002/adsc.200900879
Molecular Weight 245.275 g/mol
SMILES OC[C@](CC)([C@@](\C=C\C(OCC)=O)(C[N+](=O)[O-])[H])[H]
SPLASH splash10-0a5a-9300000000-1e91d7b69df27b3d397d
Source of Spectrum ASC-352-987/SM5-9b
Synonyms (4R,5R,E)-ethyl 5-(hydroxymethyl)-4-(nitromethyl)hept-2-enoate
Wiley ID 1764334