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(3S,4R)-6-(tert-Butyl)-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman
SpectraBase Compound ID EiIn1YaiyL3
InChI InChI=1S/C18H25NO3/c1-12(2)8-13-11-22-17-7-6-14(18(3,4)5)9-15(17)16(13)10-19(20)21/h6-9,13,16H,10-11H2,1-5H3/t13-,16-/m1/s1
InChIKey XYABNZYWXUNPPM-CZUORRHYSA-N
Mol Weight 303.4 g/mol
Molecular Formula C18H25NO3
Exact Mass 303.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AMoc6eiZ7EK
Name (3S,4R)-6-(tert-Butyl)-3-(2-methylprop-1-en-1-yl)-4-(nitromethyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25NO3
InChI InChI=1S/C18H25NO3/c1-12(2)8-13-11-22-17-7-6-14(18(3,4)5)9-15(17)16(13)10-19(20)21/h6-9,13,16H,10-11H2,1-5H3/t13-,16-/m1/s1
InChIKey XYABNZYWXUNPPM-CZUORRHYSA-N
Literature Reference DOI 10.1002/asia.201100320
Molecular Weight 303.402 g/mol
SMILES C1Oc2ccc(cc2[C@@]([C@@]1(C=C(C)C)[H])(C[N+](=O)[O-])[H])C(C)(C)C
SPLASH splash10-0f79-6894000000-a0e6dd9b85289385aee7
Source of Spectrum CAJ-6-2255/SM4-6d
Wiley ID 1773079