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(3S,4R)-3-(2-Methylprop-1-en-1-yl)-4-(nitromethyl)chroman
SpectraBase Compound ID BN3KGeFr1LY
InChI InChI=1S/C14H17NO3/c1-10(2)7-11-9-18-14-6-4-3-5-12(14)13(11)8-15(16)17/h3-7,11,13H,8-9H2,1-2H3/t11-,13-/m1/s1
InChIKey DAXDUHNOIDNISS-DGCLKSJQSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsXvcVksrB9
Name (3S,4R)-3-(2-Methylprop-1-en-1-yl)-4-(nitromethyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-10(2)7-11-9-18-14-6-4-3-5-12(14)13(11)8-15(16)17/h3-7,11,13H,8-9H2,1-2H3/t11-,13-/m1/s1
InChIKey DAXDUHNOIDNISS-DGCLKSJQSA-N
Literature Reference DOI 10.1002/asia.201100320
Molecular Weight 247.294 g/mol
SMILES C1[C@]([C@](c2ccccc2O1)(C[N+](=O)[O-])[H])(C=C(C)C)[H]
SPLASH splash10-001i-9520000000-2c73dbf3b82c0e1b5234
Source of Spectrum CAJ-6-2255/SM2-6a
Wiley ID 1773076