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[(4S,5R)-5-Cinnamoyloxymethyl-2,2-dimethyl-1,3-dioxolane-4-yl]phenylmethyl nitrate
SpectraBase Compound ID 8UW2iNQwKKZ
InChI InChI=1S/C22H23NO7/c1-22(2)28-18(15-27-19(24)14-13-16-9-5-3-6-10-16)21(29-22)20(30-23(25)26)17-11-7-4-8-12-17/h3-14,18,20-21H,15H2,1-2H3/b14-13+/t18-,20?,21+/m1/s1
InChIKey WDOAYJMYJFWZPP-KZIWOQSFSA-N
Mol Weight 413.43 g/mol
Molecular Formula C22H23NO7
Exact Mass 413.147452 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5C49kg3AgnM
Name [(4S,5R)-5-Cinnamoyloxymethyl-2,2-dimethyl-1,3-dioxolane-4-yl]phenylmethyl nitrate
Alternate Name(s) [(4R,5S)-5-Cinnamoyloxymethyl-2,2-dimethyl-1,3-dioxolane-4-yl]phenylmethyl nitrate {(4R,5S)-2,2-dimethyl-5-[(nitrooxy)(phenyl)methyl]-1,3-dioxolan-4-yl}methyl (2E)-3-phenyl-2-propenoate
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Formula C22H23NO7
InChI InChI=1S/C22H23NO7/c1-22(2)28-18(15-27-19(24)14-13-16-9-5-3-6-10-16)21(29-22)20(30-23(25)26)17-11-7-4-8-12-17/h3-14,18,20-21H,15H2,1-2H3/b14-13+/t18-,20?,21+/m1/s1
InChIKey WDOAYJMYJFWZPP-KZIWOQSFSA-N
Molecular Weight 413.426 g/mol
SMILES [C@]1(C(ON(=O)=O)c2ccccc2)([C@](OC(O1)(C)C)(COC(\C=C\c1ccccc1)=O)[H])[H]
SPLASH splash10-0ue9-0940000000-20f792fee4582b000097
Source of Spectrum KC-0-1293-44
Wiley ID 783868