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(4aR,6R,8aR)-3-methoxy-1,1,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2-benzopyran-4-carbonitrile
SpectraBase Compound ID CxrrHAm0r7K
InChI InChI=1S/C14H21NO2/c1-9-5-6-12-10(7-9)11(8-15)13(16-4)17-14(12,2)3/h9-10,12H,5-7H2,1-4H3/t9-,10+,12-/m1/s1
InChIKey IRMXBUQMXVFZCA-JFGNBEQYSA-N
Mol Weight 235.33 g/mol
Molecular Formula C14H21NO2
Exact Mass 235.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9sTKJvACLw
Name (4aR,6R,8aR)-3-methoxy-1,1,6-trimethyl-4a,5,6,7,8,8a-hexahydro-2-benzopyran-4-carbonitrile
CAS Registry Number 106431-88-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H21NO2
InChI InChI=1S/C14H21NO2/c1-9-5-6-12-10(7-9)11(8-15)13(16-4)17-14(12,2)3/h9-10,12H,5-7H2,1-4H3/t9-,10+,12-/m1/s1
InChIKey IRMXBUQMXVFZCA-JFGNBEQYSA-N
Molecular Weight 235.327 g/mol
SMILES C1(=C(OC([C@]2([C@]1(C[C@@](CC2)(C)[H])[H])[H])(C)C)OC)C#N
SPLASH splash10-0006-9350000000-5903e6fb26278dc94d25
Source of Spectrum J-54-3128-17
Synonyms (4aR,6R,8aR)-3-methoxy-1,1,6-trimethyl-4a,5,6,7,8,8a-hexahydroisochromene-4-carbonitrile
Wiley ID 1237222