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(3S,4R)-4-(Nitromethyl)-3-propylchroman-2-ol

View entire compound with spectra: 1 MS (GC)

(3S,4R)-4-(Nitromethyl)-3-propylchroman-2-ol
SpectraBase Compound ID DCaMMCNpytU
InChI InChI=1S/C13H17NO4/c1-2-5-10-11(8-14(16)17)9-6-3-4-7-12(9)18-13(10)15/h3-4,6-7,10-11,13,15H,2,5,8H2,1H3/t10-,11-,13?/m0/s1
InChIKey ZPZJSRCXAQCEJN-WAQLSPKVSA-N
Mol Weight 251.28 g/mol
Molecular Formula C13H17NO4
Exact Mass 251.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jkL0pc5u92
Name (3S,4R)-4-(Nitromethyl)-3-propylchroman-2-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17NO4
InChI InChI=1S/C13H17NO4/c1-2-5-10-11(8-14(16)17)9-6-3-4-7-12(9)18-13(10)15/h3-4,6-7,10-11,13,15H,2,5,8H2,1H3/t10-,11-,13?/m0/s1
InChIKey ZPZJSRCXAQCEJN-WAQLSPKVSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 251.282 g/mol
SMILES OC1[C@]([C@](c2ccccc2O1)(C[N+](=O)[O-])[H])(CCC)[H]
SPLASH splash10-0c03-3900000000-22951a5b3a7a0128aea8
Source of Spectrum ASC-352-2869/SM2-3a
Wiley ID 1764131