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Methyl (1R,4aR,10aR)-1,4a-dimethyl-6-nitro-1,2,3,4,4a.9,10,10a-octahdtophenanthrene-1-carboxylate
SpectraBase Compound ID Kx139uINnjc
InChI InChI=1S/C18H23NO4/c1-17-9-4-10-18(2,16(20)23-3)15(17)8-6-12-5-7-13(19(21)22)11-14(12)17/h5,7,11,15H,4,6,8-10H2,1-3H3/t15-,17+,18-/m1/s1
InChIKey HJSWQQAEMOYBBG-BPQIPLTHSA-N
Mol Weight 317.39 g/mol
Molecular Formula C18H23NO4
Exact Mass 317.162708 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2os9C7xrZhu
Name Methyl (1R,4aR,10aR)-1,4a-dimethyl-6-nitro-1,2,3,4,4a.9,10,10a-octahdtophenanthrene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO4
InChI InChI=1S/C18H23NO4/c1-17-9-4-10-18(2,16(20)23-3)15(17)8-6-12-5-7-13(19(21)22)11-14(12)17/h5,7,11,15H,4,6,8-10H2,1-3H3/t15-,17+,18-/m1/s1
InChIKey HJSWQQAEMOYBBG-BPQIPLTHSA-N
Molecular Weight 317.385 g/mol
SMILES [C@]12([C@]([C@@](C(=O)OC)(C)CCC2)(CCc2c1cc(N(=O)=O)cc2)[H])C
SPLASH splash10-0006-0391000000-ee85c9da508c681ce350
Source of Spectrum KC-57-1795-3
Wiley ID 1623113