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1H-Isoindole-1,3(2H)-dione, 2-[1-[2-(benzoyloxy)-1-hydroxyethyl]-3-butenyl]-, [S-(R*,S*)]-
SpectraBase Compound ID KxbqpRrwcg5
InChI InChI=1S/C21H19NO5/c1-2-8-17(18(23)13-27-21(26)14-9-4-3-5-10-14)22-19(24)15-11-6-7-12-16(15)20(22)25/h2-7,9-12,17-18,23H,1,8,13H2/t17-,18+/m1/s1
InChIKey DXPNWCBHUMVWBK-MSOLQXFVSA-N
Mol Weight 365.39 g/mol
Molecular Formula C21H19NO5
Exact Mass 365.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vfuWBpHiOK
Name 1H-Isoindole-1,3(2H)-dione, 2-[1-[2-(benzoyloxy)-1-hydroxyethyl]-3-butenyl]-, [S-(R*,S*)]-
Alternate Name(s) (2R,3R)-1-(benzoyloxy)-3-phthalimido-5-hexen-2-ol (2R,3R)-3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxy-5-hexenyl benzoate benzoic acid[(2R,3R)-2-hydroxy-3-phthalimido-hex-5-enyl]ester benzoic acid[(2R,3R)-3-(1,3-dioxo-2-isoindolyl)-2-hydroxyhex-5-enyl]ester [(2R,3R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxyhex-5-enyl]benzoate [(2R,3R)-3-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-hex-5-enyl]benzoate [(2R,3R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-hex-5-enyl]benzoate benzoic acid [(2R,3R)-3-(1,3-dioxo-2-isoindolyl)-2-hydroxyhex-5-enyl] ester [(2R,3R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxyhex-5-enyl] benzoate [(2R,3R)-3-(1,3-dioxoisoindolin-2-yl)-2-hydroxy-hex-5-enyl] benzoate [(2R,3R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanyl-hex-5-enyl] benzoate
CAS Registry Number 105763-43-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO5
InChI InChI=1S/C21H19NO5/c1-2-8-17(18(23)13-27-21(26)14-9-4-3-5-10-14)22-19(24)15-11-6-7-12-16(15)20(22)25/h2-7,9-12,17-18,23H,1,8,13H2/t17-,18+/m1/s1
InChIKey DXPNWCBHUMVWBK-MSOLQXFVSA-N
Molecular Weight 365.385 g/mol
SMILES O[C@]([C@](N1C(c2ccccc2C1=O)=O)(CC=C)[H])(COC(=O)c1ccccc1)[H]
SPLASH splash10-0zfr-2980000000-9f1082fd64d852aef9b6
Source of Spectrum J-51-5299-11
Wiley ID 1351427