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(3R,4R)-4-(Nitromethyl)chroman-3-carbaldehyde
SpectraBase Compound ID HUqvfXJslcY
InChI InChI=1S/C11H11NO4/c13-6-8-7-16-11-4-2-1-3-9(11)10(8)5-12(14)15/h1-4,6,8,10H,5,7H2/t8-,10+/m0/s1
InChIKey AXGOWPJFUNQQRT-WCBMZHEXSA-N
Mol Weight 221.21 g/mol
Molecular Formula C11H11NO4
Exact Mass 221.068808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hKDjMIc5hF
Name (3R,4R)-4-(Nitromethyl)chroman-3-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11NO4
InChI InChI=1S/C11H11NO4/c13-6-8-7-16-11-4-2-1-3-9(11)10(8)5-12(14)15/h1-4,6,8,10H,5,7H2/t8-,10+/m0/s1
InChIKey AXGOWPJFUNQQRT-WCBMZHEXSA-N
Literature Reference DOI 10.1002/adsc.201200472
Molecular Weight 221.212 g/mol
SMILES c1cc2[C@@]([C@](COc2cc1)(C=O)[H])(C[N+](=O)[O-])[H]
SPLASH splash10-00sm-5900000000-644b00d4aaeaf311aabc
Source of Spectrum ASC-354-2629/SM2-3a
Synonyms (3R,4R)-4-(nitromethyl)-3,4-dihydro-2H-1-benzopyran-3-carboxaldehyde (3R,4R)-4-(nitromethyl)chromane-3-carbaldehyde (3R,4R)-4-(nitromethyl)-3,4-dihydro-2H-chromene-3-carbaldehyde
Wiley ID 1761502