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(3R,4R)-7-Methyl-4-(nitromethyl)chroman-3-carbaldehyde
SpectraBase Compound ID F8xzVkcWiD7
InChI InChI=1S/C12H13NO4/c1-8-2-3-10-11(5-13(15)16)9(6-14)7-17-12(10)4-8/h2-4,6,9,11H,5,7H2,1H3/t9-,11+/m0/s1
InChIKey YSZDSOVELIWBPP-GXSJLCMTSA-N
Mol Weight 235.24 g/mol
Molecular Formula C12H13NO4
Exact Mass 235.084458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECBBTzBYSZv
Name (3R,4R)-7-Methyl-4-(nitromethyl)chroman-3-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO4
InChI InChI=1S/C12H13NO4/c1-8-2-3-10-11(5-13(15)16)9(6-14)7-17-12(10)4-8/h2-4,6,9,11H,5,7H2,1H3/t9-,11+/m0/s1
InChIKey YSZDSOVELIWBPP-GXSJLCMTSA-N
Literature Reference DOI 10.1002/adsc.201200472
Molecular Weight 235.239 g/mol
SMILES c1c(cc2OC[C@@]([C@](c2c1)(C[N+](=O)[O-])[H])(C=O)[H])C
SPLASH splash10-0a4s-1910000000-ed80e3377fc43509bab7
Source of Spectrum ASC-354-2629/SM6-3i
Wiley ID 1761509