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2-{(4R,5S)-[5-[3-(Methoxycarbonyl)propenoyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]}propan-2-yl nitrate

View entire compound with spectra: 1 MS (GC)

2-{(4R,5S)-[5-[3-(Methoxycarbonyl)propenoyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]}propan-2-yl nitrate
SpectraBase Compound ID SZOkMKqS3i
InChI InChI=1S/C14H21NO9/c1-13(2,24-15(18)19)12-9(22-14(3,4)23-12)8-21-11(17)7-6-10(16)20-5/h6-7,9,12H,8H2,1-5H3/b7-6+/t9-,12+/m0/s1
InChIKey PHMOMAHGSNQWAO-IUPBQIPNSA-N
Mol Weight 347.32 g/mol
Molecular Formula C14H21NO9
Exact Mass 347.121631 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6k7bnxzynZw
Name 2-{(4R,5S)-[5-[3-(Methoxycarbonyl)propenoyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]}propan-2-yl nitrate
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO9
InChI InChI=1S/C14H21NO9/c1-13(2,24-15(18)19)12-9(22-14(3,4)23-12)8-21-11(17)7-6-10(16)20-5/h6-7,9,12H,8H2,1-5H3/b7-6+/t9-,12+/m0/s1
InChIKey PHMOMAHGSNQWAO-IUPBQIPNSA-N
Molecular Weight 347.320 g/mol
SMILES C(ON(=O)=O)([C@]1([C@@](OC(O1)(C)C)(COC(\C=C\C(=O)OC)=O)[H])[H])(C)C
SPLASH splash10-03di-0900000000-4caa6a81aa11df376fb1
Source of Spectrum KC-0-1290-33
Synonyms (E)-2-butenedioic acid O4-[[(4S,5R)-2,2-dimethyl-5-(2-nitrooxypropan-2-yl)-1,3-dioxolan-4-yl]methyl]ester O1-methyl ester (E)-but-2-enedioic acid O4-[[(4S,5R)-2,2-dimethyl-5-(1-methyl-1-nitrooxy-ethyl)-1,3-dioxolan-4-yl]methyl]ester O1-methyl ester 1-[(4S,5R)-2,2-dimethyl-5-[2-(nitrooxy)propan-2-yl]-1,3-dioxolan-4-yl]methyl 4-methyl (2E)-but-2-enedioate 2-{(4S,5R)-[5-[3-(Methoxycarbonyl)propenoyloxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]}propan-2-yl nitrate 4-O-[[(4S,5R)-2,2-dimethyl-5-(2-nitrooxypropan-2-yl)-1,3-dioxolan-4-yl]methyl]1-O-methyl (E)-but-2-enedioate O4-[[(4S,5R)-2,2-dimethyl-5-(1-methyl-1-nitrooxy-ethyl)-1,3-dioxolan-4-yl]methyl]O1-methyl (E)-but-2-enedioate O4-[[(4S,5R)-2,2-dimethyl-5-(2-nitrooxypropan-2-yl)-1,3-dioxolan-4-yl]methyl]O1-methyl (E)-but-2-enedioate (E)-2-butenedioic acid O4-[[(4S,5R)-2,2-dimethyl-5-(2-nitrooxypropan-2-yl)-1,3-dioxolan-4-yl]methyl] ester O1-methyl ester 4-O-[[(4S,5R)-2,2-dimethyl-5-(2-nitrooxypropan-2-yl)-1,3-dioxolan-4-yl]methyl] 1-O-methyl (E)-but-2-enedioate O4-[[(4S,5R)-2,2-dimethyl-5-(1-methyl-1-nitrooxy-ethyl)-1,3-dioxolan-4-yl]methyl] O1-methyl (E)-but-2-enedioate O4-[[(4S,5R)-2,2-dimethyl-5-(2-nitrooxypropan-2-yl)-1,3-dioxolan-4-yl]methyl] O1-methyl (E)-but-2-enedioate
Wiley ID 783879