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

*Links on SpectraBase are not permalinks.
(3aS,4S,5aR,9aS,9bS)-2,2-Dimethyl-4-nitromethyl-hexahydro-[1,3]dioxolo[4',5':4,5]pyrano[3,2-d][1,3]dioxine
SpectraBase Compound ID HOZlO1LBhiy
InChI InChI=1S/C17H21NO7/c1-17(2)24-14-11(8-18(19)20)22-12-9-21-16(10-6-4-3-5-7-10)23-13(12)15(14)25-17/h3-7,11-16H,8-9H2,1-2H3/t11-,12+,13-,14-,15-,16-/m0/s1
InChIKey VTLPZYPIRGXXFQ-KARBZBNUSA-N
Mol Weight 351.36 g/mol
Molecular Formula C17H21NO7
Exact Mass 351.131802 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 8ywCg256LgU
Name (3aS,4S,5aR,9aS,9bS)-2,2-Dimethyl-4-nitromethyl-hexahydro-[1,3]dioxolo[4',5':4,5]pyrano[3,2-d][1,3]dioxine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO7
InChI InChI=1S/C17H21NO7/c1-17(2)24-14-11(8-18(19)20)22-12-9-21-16(10-6-4-3-5-7-10)23-13(12)15(14)25-17/h3-7,11-16H,8-9H2,1-2H3/t11-,12+,13-,14-,15-,16-/m0/s1
InChIKey VTLPZYPIRGXXFQ-KARBZBNUSA-N
Molecular Weight 351.355 g/mol
SMILES [C@@]12([C@]3(O[C@@](c4ccccc4)(OC[C@]3(O[C@]([C@@]1(OC(O2)(C)C)[H])(CN(=O)=O)[H])[H])[H])[H])[H]
SPLASH splash10-0a4i-7910000000-345ee501bedbe97df4df
Source of Spectrum O-34-1324-6
Synonyms (1S,2S,6S,7S,9R,12S)-4,4-dimethyl-7-(nitromethyl)-12-phenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.0(2,6)]tridecane 2,6-Anhydro-7-deoxy-4,5-O-isopropylidene-1,3-O-benzylidene-7-nitro-L-glycero-L-galacto-heptitol
Wiley ID 763430