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2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-3-methyl-1-phenyl-4-[(phenylmethyl)thio]-, methyl ester, (1.alpha.,2.beta.,3.alpha.,4.al pha.)-

View entire compound with spectra: 1 MS (GC)

2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-3-methyl-1-phenyl-4-[(phenylmethyl)thio]-, methyl ester, (1.alpha.,2.beta.,3.alpha.,4.al pha.)-
SpectraBase Compound ID 777z14JY1rQ
InChI InChI=1S/C26H26O2S/c1-18-23(26(27)28-2)24(20-13-7-4-8-14-20)21-15-9-10-16-22(21)25(18)29-17-19-11-5-3-6-12-19/h3-16,18,23-25H,17H2,1-2H3/t18-,23-,24-,25-/m0/s1
InChIKey UYMJATBBKJFJAQ-MGKKLRQFSA-N
Mol Weight 402.55 g/mol
Molecular Formula C26H26O2S
Exact Mass 402.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CdbsLkTNhoD
Name 2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-3-methyl-1-phenyl-4-[(phenylmethyl)thio]-, methyl ester, (1.alpha.,2.beta.,3.alpha.,4.al pha.)-
Alternate Name(s) 1-(benzylthio)-2-methyl-3-(methoxycarbonyl)-4-phenyl-1,2,3,4-dihydro-napthalene Methyl (1S,2R,3S,4S)-4-(benzylsulfanyl)-3-methyl-1-phenyl-1,2,3,4-tetrahydro-2-naphthalenecarboxylate
CAS Registry Number 112395-93-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O2S
InChI InChI=1S/C26H26O2S/c1-18-23(26(27)28-2)24(20-13-7-4-8-14-20)21-15-9-10-16-22(21)25(18)29-17-19-11-5-3-6-12-19/h3-16,18,23-25H,17H2,1-2H3/t18-,23-,24-,25-/m0/s1
InChIKey UYMJATBBKJFJAQ-MGKKLRQFSA-N
Molecular Weight 402.552 g/mol
SMILES [C@@]1([C@](c2ccccc2[C@]([C@]1(C)[H])(SCc1ccccc1)[H])(c1ccccc1)[H])(C(=O)OC)[H]
SPLASH splash10-014i-2094000000-2cce3825e88fbeda05e8
Source of Spectrum I-65-486-25
Wiley ID 1370596