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(4S,8S)-p-menth-1,5-dien-9-ol 3,5-dinitrobenzoate
SpectraBase Compound ID AOoYoFn9XNm
InChI InChI=1S/C17H18N2O6/c1-11-3-5-13(6-4-11)12(2)10-25-17(20)14-7-15(18(21)22)9-16(8-14)19(23)24/h3-5,7-9,12-13H,6,10H2,1-2H3/t12-,13-/m1/s1
InChIKey XNMCGOBVNYAKLO-CHWSQXEVSA-N
Mol Weight 346.34 g/mol
Molecular Formula C17H18N2O6
Exact Mass 346.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kw0iVbCbNym
Name (4S,8S)-p-menth-1,5-dien-9-ol 3,5-dinitrobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N2O6
InChI InChI=1S/C17H18N2O6/c1-11-3-5-13(6-4-11)12(2)10-25-17(20)14-7-15(18(21)22)9-16(8-14)19(23)24/h3-5,7-9,12-13H,6,10H2,1-2H3/t12-,13-/m1/s1
InChIKey XNMCGOBVNYAKLO-CHWSQXEVSA-N
Molecular Weight 346.339 g/mol
SMILES c1(N(=O)=O)cc(N(=O)=O)cc(c1)C(OC[C@]([C@@]1(C=CC(=CC1)C)[H])(C)[H])=O
SPLASH splash10-0006-9800000000-75ab4ffc8dce3946b4dc
Source of Spectrum QC-22-1461-6a
Wiley ID 1691443