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(3S,4R)-3-Isopropyl-5-methoxy-4-(nitromethyl)chroman-2-ol
SpectraBase Compound ID CWSujUU9mPN
InChI InChI=1S/C14H19NO5/c1-8(2)12-9(7-15(17)18)13-10(19-3)5-4-6-11(13)20-14(12)16/h4-6,8-9,12,14,16H,7H2,1-3H3/t9-,12+,14?/m1/s1
InChIKey JDMHRPLDHCITJF-PBAUEHGMSA-N
Mol Weight 281.31 g/mol
Molecular Formula C14H19NO5
Exact Mass 281.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37IgnIoV4JU
Name (3S,4R)-3-Isopropyl-5-methoxy-4-(nitromethyl)chroman-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19NO5
InChI InChI=1S/C14H19NO5/c1-8(2)12-9(7-15(17)18)13-10(19-3)5-4-6-11(13)20-14(12)16/h4-6,8-9,12,14,16H,7H2,1-3H3/t9-,12+,14?/m1/s1
InChIKey JDMHRPLDHCITJF-PBAUEHGMSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 281.308 g/mol
SMILES OC1Oc2cccc(c2[C@](C[N+](=O)[O-])([C@@]1(C(C)C)[H])[H])OC
SPLASH splash10-0006-2910000000-b9a65108b449779ba8d6
Source of Spectrum ASC-352-2869/SM6-3k
Wiley ID 1764141