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1-Naphthaleneacetamide, 2-(acetyloxy)decahydro-2,5,5,8a-tetramethyl-N-(2-methylphenyl)-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
SpectraBase Compound ID 9J8oDGahiG0
InChI InChI=1S/C25H37NO3/c1-17-10-7-8-11-19(17)26-22(28)16-21-24(5)14-9-13-23(3,4)20(24)12-15-25(21,6)29-18(2)27/h7-8,10-11,20-21H,9,12-16H2,1-6H3,(H,26,28)/t20-,21?,24-,25?/m0/s1
InChIKey WWWULDJWLMRDSC-JIUYMPTJSA-N
Mol Weight 399.6 g/mol
Molecular Formula C25H37NO3
Exact Mass 399.277344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3VPpqjplUL3
Name 1-Naphthaleneacetamide, 2-(acetyloxy)decahydro-2,5,5,8a-tetramethyl-N-(2-methylphenyl)-, [1R-(1.alpha.,2.beta.,4a.beta.,8a.alpha.)]-
Alternate Name(s) (4aS,8aS)-1-(N-(2-methylphenyl)carbamoylmethyl)-2-acetoxy-2,5,5,8a-tetramethyl-decahydro-naphthalene (4aS,8aS)-2,5,5,8a-tetramethyl-1-[2-oxo-2-(2-toluidino)ethyl]decahydro-2-naphthalenyl acetate
CAS Registry Number 123159-72-8
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H37NO3
InChI InChI=1S/C25H37NO3/c1-17-10-7-8-11-19(17)26-22(28)16-21-24(5)14-9-13-23(3,4)20(24)12-15-25(21,6)29-18(2)27/h7-8,10-11,20-21H,9,12-16H2,1-6H3,(H,26,28)/t20-,21?,24-,25?/m0/s1
InChIKey WWWULDJWLMRDSC-JIUYMPTJSA-N
Molecular Weight 399.575 g/mol
SMILES N(C(CC1[C@@]2([C@](C(C)(C)CCC2)(CCC1(OC(=O)C)C)[H])C)=O)c1c(C)cccc1
SPLASH splash10-0a4i-0900000000-c134c52e1c366f9b2d3b
Source of Spectrum KC-1989-562-19
Wiley ID 1369098