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2,3-Naphthalenedicarboxylic acid, 1-(acetyloxy)-1,2,3,4-tetrahydro-4-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-

View entire compound with spectra: 1 MS (GC)

2,3-Naphthalenedicarboxylic acid, 1-(acetyloxy)-1,2,3,4-tetrahydro-4-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID L3p9fffgUyD
InChI InChI=1S/C22H22O6/c1-13(23)28-20-16-12-8-7-11-15(16)17(14-9-5-4-6-10-14)18(21(24)26-2)19(20)22(25)27-3/h4-12,17-20H,1-3H3/t17-,18+,19-,20+/m1/s1
InChIKey UDOBLTYAFUZEAY-WCIQWLHISA-N
Mol Weight 382.41 g/mol
Molecular Formula C22H22O6
Exact Mass 382.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BepK6BLnjzI
Name 2,3-Naphthalenedicarboxylic acid, 1-(acetyloxy)-1,2,3,4-tetrahydro-4-phenyl-, dimethyl ester, (1.alpha.,2.alpha.,3.beta.,4.alpha.)-(.+-.)-
Alternate Name(s) Dimethyl (1R,2R,3S,4R)-1-(acetyloxy)-4-phenyl-1,2,3,4-tetrahydro-2,3-naphthalenedicarboxylate
CAS Registry Number 98719-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O6
InChI InChI=1S/C22H22O6/c1-13(23)28-20-16-12-8-7-11-15(16)17(14-9-5-4-6-10-14)18(21(24)26-2)19(20)22(25)27-3/h4-12,17-20H,1-3H3/t17-,18+,19-,20+/m1/s1
InChIKey UDOBLTYAFUZEAY-WCIQWLHISA-N
Molecular Weight 382.412 g/mol
SMILES [C@@]1([C@]([C@](c2ccccc2)(c2c([C@@]1(OC(=O)C)[H])cccc2)[H])(C(=O)OC)[H])(C(=O)OC)[H]
SPLASH splash10-03di-0090000000-228f8f0cb057d5984071
Source of Spectrum J-50-4833-27
Wiley ID 1360609