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2-(Benzyloxy)-2,3-dimethylpentan-1,5-dioic diacid retronecine ester
SpectraBase Compound ID EkDWMhMCWvS
InChI InChI=1S/C22H27NO5/c1-15-12-19(24)28-18-9-11-23-10-8-17(20(18)23)14-26-21(25)22(15,2)27-13-16-6-4-3-5-7-16/h3-8,15,18,20H,9-14H2,1-2H3/t15?,18-,20-,22?/m1/s1
InChIKey UKOPPRQIGRESIX-BOHAGERGSA-N
Mol Weight 385.46 g/mol
Molecular Formula C22H27NO5
Exact Mass 385.188923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9tMp9VwF4cF
Name 2-(Benzyloxy)-2,3-dimethylpentan-1,5-dioic diacid retronecine ester
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Formula C22H27NO5
InChI InChI=1S/C22H27NO5/c1-15-12-19(24)28-18-9-11-23-10-8-17(20(18)23)14-26-21(25)22(15,2)27-13-16-6-4-3-5-7-16/h3-8,15,18,20H,9-14H2,1-2H3/t15?,18-,20-,22?/m1/s1
InChIKey UKOPPRQIGRESIX-BOHAGERGSA-N
Molecular Weight 385.460 g/mol
SMILES C1(C(OCC=2[C@]3(N(CC2)CC[C@]3(OC(CC1C)=O)[H])[H])=O)(OCc1ccccc1)C
SPLASH splash10-0gbi-2940000000-a83818f4e701d7f7e524
Source of Spectrum J-61-1476-10
Synonyms (4aR,12bR)-9-(benzyloxy)-8,9-dimethyl-2,3,4,4a,8,9,12,12b-octahydro-6H-5,11-dioxa-2a-azacycloundeca[cd]pentalene-6,10(7H)-dione
Wiley ID 1362266