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(3S,4R)-3-Allyl-4-(nitromethyl)chroman

View entire compound with spectra: 1 MS (GC)

(3S,4R)-3-Allyl-4-(nitromethyl)chroman
SpectraBase Compound ID DT9bSQtE8Rd
InChI InChI=1S/C13H15NO3/c1-2-5-10-9-17-13-7-4-3-6-11(13)12(10)8-14(15)16/h2-4,6-7,10,12H,1,5,8-9H2/t10-,12-/m1/s1
InChIKey MHXYWBXKKLSBLX-ZYHUDNBSSA-N
Mol Weight 233.27 g/mol
Molecular Formula C13H15NO3
Exact Mass 233.105193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KqjgxjiiEB8
Name (3S,4R)-3-Allyl-4-(nitromethyl)chroman
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO3
InChI InChI=1S/C13H15NO3/c1-2-5-10-9-17-13-7-4-3-6-11(13)12(10)8-14(15)16/h2-4,6-7,10,12H,1,5,8-9H2/t10-,12-/m1/s1
InChIKey MHXYWBXKKLSBLX-ZYHUDNBSSA-N
Literature Reference DOI 10.1002/adsc.201000659
Molecular Weight 233.267 g/mol
SMILES C1Oc2ccccc2[C@](C[N+](=O)[O-])([C@@]1(CC=C)[H])[H]
SPLASH splash10-001l-2900000000-5738b7595d7310b56eab
Source of Spectrum ASC-352-2869/SM8-5d
Wiley ID 1764145