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(4R,8R)-8-Hydroxy-P-menth-1-en-9-yl-4'-nitrobenzoate
SpectraBase Compound ID JTLrjRxS6uA
InChI InChI=1S/C17H21NO5/c1-12-3-7-14(8-4-12)17(2,20)11-23-16(19)13-5-9-15(10-6-13)18(21)22/h3,5-6,9-10,14,20H,4,7-8,11H2,1-2H3/t14-,17-/m0/s1
InChIKey REAUBTGEVMKLAD-YOEHRIQHSA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QLLUQ7M21N
Name (4R,8R)-8-hydroxy-p-menth-1-en-9-yl 4'-nitrobenzoate
CAS Registry Number 56086-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-12-3-7-14(8-4-12)17(2,20)11-23-16(19)13-5-9-15(10-6-13)18(21)22/h3,5-6,9-10,14,20H,4,7-8,11H2,1-2H3/t14-,17-/m0/s1
InChIKey REAUBTGEVMKLAD-YOEHRIQHSA-N
Molecular Weight 319.357 g/mol
SMILES O[C@@](COC(c1ccc(N(=O)=O)cc1)=O)([C@]1(CC=C(CC1)C)[H])C
SPLASH splash10-0f7o-4900000000-5e64f43bbdc19c1b7a17
Source of Spectrum B-39-26-2
Synonyms (4R,8S)-8-hydroxy-p-menth-1-en-9-yl 4'-nitrobenzoate (2R)-2-hydroxy-2-[(1R)-4-methyl-3-cyclohexen-1-yl]propyl 4-nitrobenzoate
Wiley ID 1319332